CAS 544-13-8|glutaronitrile|pentanedinitrile|1,3-DICYANOPROPANE|Dicyanopropane|Glutaronitrile|Glutaronitrile|1,3-二氰基丙烷|1,3-Dicyanopropane|戊二腈|Pentanedinitrile

InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

ZTOMUSMDRMJOTH-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

0.16198343

LogD (pH = 7.4)

0.16198343

Log P

0.16198343

Molar Refractivity

26.0966

Polarizability

9.6342945

Polar Surface Area

47.58

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

1,3-DICYANOPROPANEDicyanopropaneGlutaronitrileGlutaronitrile1,3-二氰基丙烷戊二腈1,3-DicyanopropanePentanedinitrile

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20/21/22

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05215123

MP Biomedicals Rare Chemical collection

130621

Packaging
25, 100 mL in glass bottle

49730

Other Notes
Precursor of the corresponding imidate, a cross-linking agent for modifying proteins via amidation according to Davies and Stark1

• Can be used for the conversion, by exchange, of carboxylic acids to nitriles, by heating in the presence of phosphoric acid. The equilibrium is displaced by cyclization to glutarimide: J. Org. Chem., 36, 3050 (1971).

Names and Identifiers

IUPAC Traditional name

glutaronitrile

IUPAC name

pentanedinitrile

Synonyms

1,3-DICYANOPROPANEDicyanopropaneGlutaronitrileGlutaronitrile1,3-二氰基丙烷戊二腈1,3-DicyanopropanePentanedinitrile

Registration numbers

Chemspider ID

Wikipedia Title

PubChem CID

CAS Number

Beilstein Number

EC Number

PubChem SID

1620959932484797324873108

MDL Number

Merck Index

Molecule Details

MP Biomedicals Rare Chemical collection

Wikipedia

Glutaronitrile

Sigma Aldrich

130621

Packaging
25, 100 mL in glass bottle

49730

Other Notes
Precursor of the corresponding imidate, a cross-linking agent for modifying proteins via amidation according to Davies and Stark1

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay

LD50

266 mg kg^-1 (oral, mouse)

Safety Statements

S36/37

36/37

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

UN Number

2810

UN3276

European Hazard Symbols

Harmful (Xn)

Harmful (X)

GHS Signal Word

DANGER

Danger

RTECS

YI3500000

GHS Precautionary statements

280,301+310

P280-P301+P310

P264-P270-P301+P312-P330-P501A

GHS Hazard statements

301,312,332

H301-H312-H332

H302

Packing Group

III

Hazard Class

6.1

German water hazard class

RID/ADR

UN 2810 6.1/PG 3

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Storage Warning

Hygroscopic

TSCA Listed

是

n20/D 1.434(lit.)

Melting Point

-29.55°C (243.6K)

-29 °C(lit.)

-29°C

Apperance

Colourless liquid

Std molar entropy

239.45 J K^-1 mol^-1

Flash Point

113 °C

235.4 °F

112°C(234°F)

Heat Capacity

186.26 J K^-1 mol^-1

Molecule

ID:110461