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Name	BROMOACETONITRILE	EINECS	209-672-1
CAS No.	590-17-0	Density	1.761 g/cm³
PSA	23.79000	LogP	0.90488
Solubility	Insoluble in water.	Melting Point	-36oC
Formula	C₂H₂BrN	Boiling Point	154.5 °C at 760 mmHg
Molecular Weight	119.949	Flash Point	24.3 °C
Transport Information	UN 3276 6.1/PG 3	Appearance	clear colourless to yellowish liquid
Safety	26-36-45-24/25	Risk Codes	23/24/25-36/37/38
Molecular Structure		Hazard Symbols	T, C
Synonyms	2-Bromoacetonitrile;Bromomethyl cyanide;Cyanomethyl bromide;	Article Data	21

BROMOACETONITRILE Synthetic route

: 1-benzoyl-3-bromo-2-phenylpropene-1,3-dicarbonitrile

: 107-91-5
cyanoacetic acid amide

A: 932021-64-2
6-amino-5-benzoyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile

B: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water for 3h; Heating;	A 78% B n/a

: 100-09-4
4-methoxybenzoic acid

: 75-05-8
acetonitrile

A: cyanomethyl 4-methoxybenzoate

B: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With di-tert-butyl peroxide; C11H23N2(1+)*Br4Fe(1-) at 110℃; for 12h; Mechanism;	A 55% B n/a

: 186581-53-3, 908094-01-9
diazomethane

: 60-29-7
diethyl ether

: 506-68-3
bromocyane

A: 13273-53-5
4-bromo-1-methyl-1H-1,2,3-triazole

B: 16681-67-7
4-bromo-2-methyl-2H-1,2,3-triazole

C: 16681-82-6
5-bromo-1-methyl-1H-1,2,3-triazole

D: 590-17-0
cyanomethyl bromide

...Expand

: 506-68-3
bromocyane

: 25553-97-3
N,N-diisobutyl-glycine nitrile

A: 1531-37-9
N-cyanodiisobutylamine

B: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
at 100℃;

: 624-75-9
iodoacetonitrile

: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With water; bromine
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Δ G;

: 683-57-8
bromo-acetic acid amide

: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With phosphorus pentaoxide Destillieren im Vakuum;
With phosphorus pentoxide

: 75-05-8
acetonitrile

: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With N-Bromosuccinimide; sulfur

: 107-14-2
chloroacetonitrile

: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Equilibrium constant; Δ G;
With potassium bromide In methanol

: 348-57-2
2,4-difluorobromobenzene

: 75-05-8
acetonitrile

A: 372-18-9
1,3-Difluorobenzene

B: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
for 24h; Product distribution; Irradiation;

: 64248-56-2
1-bromo-2,6-difluorobenzene

: 75-05-8
acetonitrile

A: 348-57-2
2,4-difluorobromobenzene

B: 372-18-9
1,3-Difluorobenzene

C: 590-17-0
cyanomethyl bromide

Conditions

Conditions	Yield
for 24h; Product distribution; Kinetics; Irradiation;

BROMOACETONITRILE Chemical Properties

MF: C₂H₂BrN
MW: 119.95
EINECS: 209-672-1
bp： 60-62 °C24 mm Hg(lit.)
density： 1.722 g/mL at 25 °C(lit.)
refractive index： n20/D 1.479(lit.)
Fp： >230 °F
storage temp： 0-6°C
BRN： 956569
CAS DataBase Reference： 590-17-0(CAS DataBase Reference)
NIST Chemistry Reference： 590-17-0(NIST)
EPA Substance Registry System： 590-17-0(EPA Substance)
The structure of BROMOACETONITRILE is:

BROMOACETONITRILE Toxicity Data With Reference

1、RTECS#: CAS# 590-17-0: AL7970000
2、LD50/LC50: RTECS: Not available. Other:
3、Carcinogenicity: Bromoacetonitrile - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: The toxicological properties have not been fully investigated. See actual entry in RTECS for complete information.

BROMOACETONITRILE Safety Profile

Hazard Codes： T,C
Risk Statements： 23/24/25-36/37/38
Safety Statements： 26-36-45-24/25
RIDADR： UN 3276 6.1/PG 3
WGK Germany： 3
RTECS： AL7970000
F： 19
HazardClass： 8
PackingGroup： II
Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and Br⁻.

BROMOACETONITRILE Specification

1、Handling and Storage of BROMOACETONITRILE
Handling: Use only in a well-ventilated area. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
2、Fire Fighting Measures of BROMOACETONITRILE
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.

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