CAS 3018-12-0|Dichloroacetonitrile|2,2-dichloroacetonitrile|dichloroacetonitrile|二氯乙腈|Dichloroacetonitrile

InChI=1S/C2HCl2N/c3-2(4)1-5/h2H

STZZWJCGRKXEFF-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.1161314

LogD (pH = 7.4)

1.1161314

Log P

1.1161314

Molar Refractivity

21.5988

Polarizability

8.143496

Polar Surface Area

23.79

Rotatable Bonds

Lipinski's Rule of Five

true

Dichloroacetonitrile二氯乙腈Dichloroacetonitrile

2,2-dichloroacetonitrile

IUPAC Traditional name

dichloroacetonitrile

Download link

AL8465000

Click here to submit data

05214128

MP Biomedicals Rare Chemical collection

125954

Packaging
25 g in glass bottle

• Undergoes alkylation with triethylborane using the hindered base potassium 2,6-di-tert-butylphenoxide (from 2,6-Di-tert-butylphenol, A17244): J. Am. Chem. Soc., 92, 5790 (1970).

Names and Identifiers

Synonyms

Dichloroacetonitrile二氯乙腈Dichloroacetonitrile

IUPAC name

2,2-dichloroacetonitrile

IUPAC Traditional name

dichloroacetonitrile

Registration numbers

CAS Number

3018-12-0

Beilstein Number

1739029

PubChem SID

248476891620432602486200324867908

EC Number

MDL Number

PubChem CID

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

125954

Packaging
25 g in glass bottle

References

PubChem Literature

From Data Sources

• Undergoes alkylation with triethylborane using the hindered base potassium 2,6-di-tert-butylphenoxide (from 2,6-Di-tert-butylphenol, A17244): J. Am. Chem. Soc., 92, 5790 (1970).

Bioactivity

PubChem BioAssay

analytical standard

Shelf Life

(limited shelf life, expiry date on the label)

Packaging

ampule of 1000 mg

Safety Statements

S:36/37/39

26-36/37/39-45

European Hazard Symbols

Harmful (Xn)

Corrosive (C)

Harmful (X)

Risk Statements

R:22

10-22-34

10-22-34-68-63

GHS Signal Word

Danger

Personal Protective Equipment

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

Hazard Class

RID/ADR

UN 2920 8/PG 2

UN Number

2920

UN2920

GHS Pictograms

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

German water hazard class

GHS Precautionary statements

P280-P305+P351+P338-P310

P280-P303+P361+P353-P305+P351+P338-P310

GHS Hazard statements

H226-H302-H314

H314-H318-H226-H341-H361-H302

Packing Group

TSCA Listed

否

Certificate of Analysis

Molecule

ID:78494