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242489

Sigma-Aldrich

Bromoacetonitrile

97%

Synonym(s):

2-Bromoacetonitrile, Bromomethyl cyanide, Cyanomethyl bromide

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About This Item

Linear Formula:
BrCH2CN
CAS Number:
590-17-0
Molecular Weight:
119.95
Beilstein:
956569
EC Number:
209-672-1
MDL number:
MFCD00001884
UNSPSC Code:
12352100
PubChem Substance ID:
24854561
NACRES:
NA.22

Quality Level

200

Assay

97%

form

liquid

refractive index

n20/D 1.479 (lit.)

bp

60-62 °C/24 mmHg (lit.)

density

1.722 g/mL at 25 °C (lit.)

functional group

bromo
nitrile

SMILES string

BrCC#N

InChI

1S/C2H2BrN/c3-1-2-4/h1H2

InChI key

REXUYBKPWIPONM-UHFFFAOYSA-N

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General description

Bromoacetonitrileis an organic compound, generally used as a cyanoalkyl source. It is also used in organic synthesis as a chemical intermediate and an alkylating agent.

Application

Bromoacetonitrile was used in the synthesis of 1-cyanomethyl-1,1-dimethylhydrazinium bromide.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311 + H331

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

242489-BULK:
242489-100G:4548173123110
242489-VAR:
242489-25G:4548173123127
242489-5G:4548173123134

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF8699
BCCD9668
BCCD5242
BCCD4824
BCCD4280

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Carles Miró Sabaté et al.
Chemistry, an Asian journal, 7(5), 1085-1095 (2012-03-03)
1,1-Dimethylhydrazine can be readily alkylated with bromoacetonitrile to form 1-cyanomethyl-1,1-dimethylhydrazinium bromide ([(CH(3))(2)N(CH(2)CN)NH(2)]Br, 1). The metathesis reaction of compound 1 led to the formation of a new family of energetic salts based on the [(CH(3))(2)N(CH(2)CN)NH(2)](+) cation and nitrate (2), perchlorate (3)

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