CAS 75-05-8|CAS 148642-19-7|ACETONITRILE|acetonitrile|Methyl cyanide|acetonitrile|Cyanomethane|Methanecarbonitrile|Ethyl nitrile|Ethanenitrile|ACETONITRILE, ANHYDROSOLV GRADE|ACETONITRILE, ABSOLV GR...

General Information

Structure

Molecular Formula

C₂H₃N

Molecular Mass

41.05192

Exact Mass

41.0265491

Charge

InChI

InChI=1S/C2H3N/c1-2-3/h1H3

InChIKey

WEVYAHXRMPXWCK-UHFFFAOYSA-N

Canonic Smiles

CC#N

Isomeric Smiles

N#CC

Calculated Properties

JChem

LogD (pH = 7.4)

-0.17

LogD (pH = 5.5)

-0.17

Log P

-0.17

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Polar Surface Area

23.79

Polarizability

4.27

Molar Refractivity

11.62

LOG S

0.25

Data Source

Names and Identifiers

Synonyms

ACETONITRILEMethyl cyanideCyanomethaneMethanecarbonitrileEthyl nitrileEthanenitrileACETONITRILE, ANHYDROSOLV GRADEACETONITRILE, ABSOLV GRADEAcetonitrile, HPLC/Spectro grade, ≥ 99.9%Methyl Cyanide, Cyanomethane, Ethanenitrile, ethylACETONITRILE, BIO GRADE甲基氰乙腈溶液AcetonitrileAcetonitrile solution乙腈C01 - AcetonitrileACN乙腈:水 15:85；含 0.1% IPC 试剂Acetonitrile : Water 15:85; with 0.1% IPC reagent乙腈溶液N-Term LC Solvent System AAcetonitrile solutionAcetonitrile with 0.1% formic acidAcetonitrile, Environmental Grade乙腈,环境级乙腈, 无水, 无氨Acetonitrile, anhydrous乙腈, 无水Acetonitrile, anhydrous, amine freeAcetonitrile with 0.1% ammonium acetateAcetonitrile, ACS乙腈, ACSAcetonitrile, HPLC Grade乙腈, HPLC级(Far UV)Acetonitrile, HPLC Grade (Far UV)乙腈, HPLC级Acetonitrile, Supergradient HPLC Grade (Far UV)乙腈,超梯度HPLC级 (Far UV)Acetonitrile with 0.1% acetic acidAcetonitrile, Spectrophotometric GradeAcetonitrile 99%Acetonitrile with 0.1% trifluoroacetic acidAcetonitrile with 0.1% formic acid and 0.01% trifluoroacetic acid含 0.1% 乙酸的乙腈乙腈,光谱级ACETONITRILE, ACSACETONITRILEmethyl cyanidecyanomethaneNCMeethanenitrileCH3-C#NMeCNacetonitrile

IUPAC Traditional name

acetonitrile

IUPAC name

acetonitrile

Names and Identifiers

Registration numbers

Properties

Safety Information

Highly Flammable/Harmful/Irritant/Store under Argon

2WE

131

R:11-23/24/25

R11,R20/21/22,R36

Properties

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02150225

Purity: >95%
1 ml = approx. 0.78 g

02152491

(Methyl Cyanide) ACS Reagent Grade Assay: ≥ 99.5%

02190142

1 ml = approx. 0.78 g

Wikipedia

Acetonitrile

Sigma Aldrich

576964

Packaging
4 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

L0120000

Packaging
View returnable container options.

674907

Preparation Note
Product filtered through a 0.2 μm filter

L010400

Packaging
4×4 L in glass bottle

316458

Application
Suitable for pesticide residue analysis
Packaging
4×4 L in glass bottle
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

L010010

Packaging
6×100 mL in Sure/Seal™

733466

Application
High purity solvents for use in electrical applications and in the synthesis of high-purity materials.
Packaging
1, 4 L in poly bottle

539473

Legal Information
AldraSORB is a trademark of Sigma-Aldrich Co. LLC

270717

Packaging
4×4 L in glass bottle

87859

Packaging
Special packaging for direct use in common sequencers.

00707

Application
dry quality (≤50 ppm water) for the removal of water from the reaction vessel and for washing the support during DNA synthesis

00712

Packaging
Special packaging for direct use in common sequencers.

77486

Application
suitable for the separation of PTH-amino acids on Agilent sequenators

00688

Other Notes
Plasma deproteinizing prior to tryptophan quantitation by HPLC1

00689

General description
no impurities present which would show greater signals than 5 ng/l lindane, in the GC/ECD retention time range of lindane to DDT

00693

General description
Special brochure (85475) available at cost price.
Other Notes
Sales restrictions may apply

00682

Packaging
Special packaging for direct use in common sequencers.

01324

Application
high purity grade for ICP-MS detection
Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

34676

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34669

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34668

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34678

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

14261

Analysis Note
UHPLC-MS (q-TOF) ≤5 ppb (Reserpin, ESI(+);UHPLC-MS (q-TOF) ≤20 ppb (Digoxin, ESI(-)
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34955

Packaging
1, 6×1 L in glass bottle
500, 6×500 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34976

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

00705

Application
extremely dry quality (≤30 ppm water) for dissolution of the phosphoamidites during the coupling reaction in DNA synthesis

34481

Packaging
50 mL in glass bottle

34967

Application
Watch a 6-minute presentation about the advantages of our High Purity Solvents for Sensitive LC-MS Analysis
Packaging
1, 6×1, 2.5, 4×2.5, 4×4 L in glass bottle
20 L in Nowpak™
250 mL in glass bottle
45 L in ss drum
Preparation Note
filtered through a 0.2 μm filter
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

00683

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

574732

Packaging
18 L in VerSA-Flow™
20 L in Nowpak™
4, 4×4 L in glass bottle
View returnable container options.
200 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter

565423

Packaging
18 L in VerSA-Flow™
4×4 L in PVC coated
4×4 L packaged in glass bottles; 18 L packaged in VerSA-Flow® containers
View returnable container options.
20 L in Nowpak™
Legal Information
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

675415

Packaging
4, 4×4 L in PVC coated
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

439134

包装
1 L in glass bottle
18 L in VerSA-Flow™
2×10 L in Nowpak™
20 L in Nowpak™
4, 4×4 L in PVC coated
50L 密封复合材料桶包装；200L 密封钢桶包装；2×10L、20L NOWPAK HDPE 瓶包装；4L、4×4L 带聚合物涂层瓶包装；18L VerSA-Flow™ 容器包装
50 L in comp drum
Preparation Note
产品经过 0.2μm 过滤器过滤
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH
VerSA-Flow 商标 Sigma-Aldrich Co. LLC

574724

Packaging
18 L in VerSA-Flow™
4, 4×4 L in glass bottle
200 L in comp drum
Preparation Note
Product filtered through a 0.2 μm filter

CN34851

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

CNA34851

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

576956

Packaging
18 L in VerSA-Flow™
4×4 L in glass bottle
View returnable container options.
200 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter

685461

Packaging
4×4 L in PVC coated

437557

Packaging
4×4 L in PVC coated

34996

Packaging
18, 45 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34921

Legal Information
SPECTRANAL is a trademark of Sigma-Aldrich Laborchemikalien GmbH

271004

Packaging
1, 6×1, 2, 4×2 L in Sure/Seal™
18 L in Pure-Pac™ 1
20, 50 L in Pure-Pac™ 2
View returnable container options.
100, 12×100 mL in Sure/Seal™
200 L in Pure-Pac™ 1

34851

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1 pkg in Pure-Pac™ 2
100 mL in glass bottle
200 L in Pure-Pac™ 2
1, 6×1, 144×1, 2, 4×2, 4, 4×4 L in glass bottle
18 L in Pure-Pac™ 1
20 L in Nowpak™
20, 50 L in Pure-Pac™ 2
56, 200 L in Pure-Pac™ 1
7 L in ss drum
View returnable container options.
Preparation Note
Product filtered through a 0.2 μm filter
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

34998

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Enhances sensitivity for critical analytical applications: HPLC, spectrophotometry and residue analysis
Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 6×1, 2.5, 4×2.5, 4, 4×4 L in glass bottle
18 L in ss drum
2×10 L in Nowpak™
20 L in Nowpak™
20 L in Pure-Pac™ 2
45 L in ss drum
50 L in Pure-Pac™ 2
7 L in ss drum
View returnable container options.
200 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

679186

General description
LC/MS suitability tested
Packaging
4, 4×4 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

639133

Packaging
18 L in VerSA-Flow™
4×4 L in glass bottle
20 L in Nowpak™
Preparation Note
Product filtered through a 0.2 μm filter

494445

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 2 L in Sure/Seal™
18 L in Pure-Pac™ 1
20 L in Nowpak™ II
20 L in Pure-Pac™ 2
25 L in ss drum
25 L packaged in closed-head stainless steel drums; 18 L, 56 L, 200 L packaged in Pure-Pac® stainless steel containers; 1 L, 2 L packaged in Sure/Seal™
4×4 L in glass bottle
View returnable container options.
100 mL in Sure/Seal™
200, 400 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter.
Legal Information
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC

154601

Packaging
1, 2 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

360457

Packaging
1, 2, 2.5, 4×4 L in glass bottle
10 L in ss drum
20, 200 L in steel drum
500, 6×500 mL in glass bottle

110086

Packaging
1, 4 L in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

34888

Packaging
1, 6×1, 2.5, 4×2.5 L in glass bottle
7, 18 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34881

Packaging
1, 6×1, 2.5, 4×2.5, 72×2.5 L in glass bottle
7, 18, 45, 200 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34896

Packaging
1, 6×1 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34989

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

ChEBI

CHEBI:38472

A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.

Molecule Details

References

PubChem Literature

From Data Sources

• For use in the mild conversion of amides to nitriles, see Benzamide, A10501.

• Undergoes the Ritter reaction with alcohols or olefins in the presence of acid to give N-substituted acetamides. For benzylic alcohols, modified conditions employing boron trifluoride etherate give high yields: Synth. Commun., 24, 601 (1994). For an example, see 4-Methylbenzyl alcohol, A15315.

• Polar aprotic solvent for a wide variety of reactions, including nucleophilic substitutions, oxidations, reductions and organometallic reactions. Widely used with crown ethers for the generation of 'naked' anions from their salts; see, e.g. 18-Crown-6, A11249. Preferred solvent for RuO₄ oxidations, due to its coordinating ability; see Ruthenium(III) chloride hydrate, 11043.

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

acetonitrile

IUPAC name

acetonitrile

Molecule Details

MP Biomedicals

02150225

Purity: >95%
1 ml = approx. 0.78 g

02152491

(Methyl Cyanide) ACS Reagent Grade Assay: ≥ 99.5%

02190142

1 ml = approx. 0.78 g

Wikipedia

Acetonitrile

Sigma Aldrich

576964

Packaging
4 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

L0120000

Packaging
View returnable container options.

674907

Preparation Note
Product filtered through a 0.2 μm filter

L010400

Packaging
4×4 L in glass bottle

316458

Application
Suitable for pesticide residue analysis
Packaging
4×4 L in glass bottle
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

L010010

Packaging
6×100 mL in Sure/Seal™

733466

Application
High purity solvents for use in electrical applications and in the synthesis of high-purity materials.
Packaging
1, 4 L in poly bottle

539473

Legal Information
AldraSORB is a trademark of Sigma-Aldrich Co. LLC

270717

Packaging
4×4 L in glass bottle

87859

Packaging
Special packaging for direct use in common sequencers.

00707

Application
dry quality (≤50 ppm water) for the removal of water from the reaction vessel and for washing the support during DNA synthesis

00712

Packaging
Special packaging for direct use in common sequencers.

77486

Application
suitable for the separation of PTH-amino acids on Agilent sequenators

00688

Other Notes
Plasma deproteinizing prior to tryptophan quantitation by HPLC1

00689

General description
no impurities present which would show greater signals than 5 ng/l lindane, in the GC/ECD retention time range of lindane to DDT

00693

General description
Special brochure (85475) available at cost price.
Other Notes
Sales restrictions may apply

00682

Packaging
Special packaging for direct use in common sequencers.

01324

Application
high purity grade for ICP-MS detection
Legal Information
TraceSELECT is a registered trademark of Sigma-Aldrich Co. LLC

34676

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34669

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34668

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34678

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

14261

Analysis Note
UHPLC-MS (q-TOF) ≤5 ppb (Reserpin, ESI(+);UHPLC-MS (q-TOF) ≤20 ppb (Digoxin, ESI(-)
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34955

Packaging
1, 6×1 L in glass bottle
500, 6×500 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34976

Packaging
2.5 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

00705

Application
extremely dry quality (≤30 ppm water) for dissolution of the phosphoamidites during the coupling reaction in DNA synthesis

34481

Packaging
50 mL in glass bottle

34967

00683

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

574732

Packaging
18 L in VerSA-Flow™
20 L in Nowpak™
4, 4×4 L in glass bottle
View returnable container options.
200 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter

565423

675415

Packaging
4, 4×4 L in PVC coated
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

439134

574724

Packaging
18 L in VerSA-Flow™
4, 4×4 L in glass bottle
200 L in comp drum
Preparation Note
Product filtered through a 0.2 μm filter

CN34851

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

CNA34851

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

576956

Packaging
18 L in VerSA-Flow™
4×4 L in glass bottle
View returnable container options.
200 L in Pure-Pac™ 1
Preparation Note
Product filtered through a 0.2 μm filter

685461

Packaging
4×4 L in PVC coated

437557

Packaging
4×4 L in PVC coated

34996

Packaging
18, 45 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34921

Legal Information
SPECTRANAL is a trademark of Sigma-Aldrich Laborchemikalien GmbH

271004

Packaging
1, 6×1, 2, 4×2 L in Sure/Seal™
18 L in Pure-Pac™ 1
20, 50 L in Pure-Pac™ 2
View returnable container options.
100, 12×100 mL in Sure/Seal™
200 L in Pure-Pac™ 1

34851

34998

679186

General description
LC/MS suitability tested
Packaging
4, 4×4 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

639133

Packaging
18 L in VerSA-Flow™
4×4 L in glass bottle
20 L in Nowpak™
Preparation Note
Product filtered through a 0.2 μm filter

494445

154601

Packaging
1, 2 L in glass bottle
Preparation Note
Product filtered through a 0.2 μm filter

360457

Packaging
1, 2, 2.5, 4×4 L in glass bottle
10 L in ss drum
20, 200 L in steel drum
500, 6×500 mL in glass bottle

110086

Packaging
1, 4 L in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

34888

Packaging
1, 6×1, 2.5, 4×2.5 L in glass bottle
7, 18 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34881

Packaging
1, 6×1, 2.5, 4×2.5, 72×2.5 L in glass bottle
7, 18, 45, 200 L in ss drum
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34896

Packaging
1, 6×1 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

34989

Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

ChEBI

CHEBI:38472

A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.

References

PubChem Literature

From Data Sources

• For use in the mild conversion of amides to nitriles, see Benzamide, A10501.

Bioactivity

PubChem BioAssay

Properties

Safety Information

Highly Flammable/Harmful/Irritant/Store under Argon

2WE

131

R:11-23/24/25

R11,R20/21/22,R36

Molecule

ID:74414