CAS No.598-31-2,BROMOACETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	598-31-2
Name:	BROMOACETONE
Article Data:	135

Formula:	C₃H₅BrO
Molecular Weight:	136.976
Synonyms:	2-Propanone,bromo- (6CI,7CI);1-Bromo-2-propanone;Acetonyl bromide;Acetylmethyl bromide;Bromoacetone;Bromomethyl methyl ketone;Monobromoacetone;a-Bromoacetone;a-Bromopropanone;1-bromopropan-2-one;
EINECS:	209-928-2
Density:	1.55 g/cm³
Melting Point:	-36.5 °C
Boiling Point:	136.999 °C at 760 mmHg
Flash Point:	75.324 °C
Appearance:	clear colorless liquid
Risk Codes:	11-23/24/25-34
Safety:	26-36/37/39
Transport Information:	UN 1569
PSA:	17.07000
LogP:	0.97030

Synthetic route

: (Z)-5-nitro-2-furylvinylpyridinium bromide dibromide

: 67-64-1
acetone

A: 59563-51-8
(E)-5-nitro-2-furylvinyl bromide

B: 598-31-2
1-bromoacetone

C: 59563-50-7
(Z)-1-(5-nitro-2-furyl)-2-bromoethylene

Conditions

Conditions	Yield
at 25 - 35℃; for 1h; Product distribution; other temperature;	A n/a B 99% C n/a

...Expand

: (E)-5-nitro-2-furylvinylpyridinium bromide dibromide

: 67-64-1
acetone

A: 59563-51-8
(E)-5-nitro-2-furylvinyl bromide

B: 598-31-2
1-bromoacetone

C: 59563-50-7
(Z)-1-(5-nitro-2-furyl)-2-bromoethylene

Conditions

Conditions	Yield
at 25 - 35℃; for 1h; Product distribution; other temperature;	A n/a B 99% C n/a

...Expand

: 67-64-1
acetone

: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With Cl(CF2)4SO2Br at 0℃;	95%
With bromine In dichloromethane at 65 - 75℃; for 12h;	93%
With 2,3-dibromo-2-cyano-1,4-dioxine for 15h; Ambient temperature;	78%

: 123484-51-5
1,3-dimethyl-4-cyano-5a,9a-cis-9,9a-trans-6,7,8,9,5a,9a-hexahydrobenzothiazolo<3,2-a>pyridinium tribromide

: 121567-81-5
4-bromo-6,8-dimethyl-9-cyano-4a,10a-cis-4,4a-trans-1,2,3,4,4a,10a-hexahydrobenzothiazolo<3,2-a>pyridinium bromide

B: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With acetone at 25℃; for 0.333333h;	A 92% B 72%

: 67-56-1
methanol

: 5072-70-8
1-bromo-2,3-dimethyl-2-butene

A: 10027-74-4
2-hydroperoxy-2-methoxypropane

B: 1-bromo-2-hydroperoxy-2-methoxypropane

C: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With ozone at 0℃; for 0.833333h;	A 40.75% B 53% C 90%

...Expand

: 1271-66-5
dimethyltitanocene

: 127-19-5
N,N-dimethyl acetamide

: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
Stage #1: dimethyltitanocene; N,N-dimethyl acetamide In toluene at 65℃; Schlenk technique; Inert atmosphere; Stage #2: With bromine In toluene at -78℃; for 0.0333333h; Schlenk technique; Inert atmosphere; Stage #3: With water In toluene at 20℃; for 1h; Schlenk technique; Inert atmosphere; regioselective reaction;	90%

: 67-56-1
methanol

: 6044-73-1
(E)-1,4-dibromo-2,3-dimethylbut-2-ene

A: 1-bromo-2-hydroperoxy-2-methoxypropane

B: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With ozone at 0℃; for 0.416667h;	A 89% B n/a

...Expand

: 557-93-7
2-bromoprop-1-ene

: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With sodium hypobromide In acetic acid; acetone at 0℃;	83%

: 24434-91-1, 39762-25-9, 76420-04-7
(+/-)-(1α,3α,3aβ,6aβ)-1,2,3,3a,4,6a-hexahydropentalene-1,3-dicarboxylic acid

: 67-64-1
acetone

: (+/-)-(2aα,2a1β,4α,4aβ,6β,6aα)-6-bromo-2-oxooctahydro-2H-pentaleno[1,6-bc]furan-4-carboxylic acid

B: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With N-Bromosuccinimide In water at 20℃; regioselective reaction;	A 75.4% B n/a

...Expand

: 126-38-5
1-bromo-2,2-dimethoxypropane

: 598-31-2
1-bromoacetone

Conditions

Conditions	Yield
With trifluoroacetic acid In chloroform at 20℃; for 4h;	73.5%
With hydrogenchloride for 24h; Ambient temperature;
With hydrogenchloride In ethanol at 20℃; for 72h;

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Chemistry

Molecular Formula: C₃H₅BrO
Molar mass: 136.98 g/mol
EINECS: 209-928-2
Density: 1.55 g/cm³
Flash Point: 75.3 °C
Index of Refraction: 1.449
Boiling Point: 137 °C at 760 mmHg
Vapour Pressure: 7.19 mmHg at 25°C
Melting point: -36,5°C
Water solubility: Soluble
Appearance: Clear colorless liquid
Product categories of Bromo-2-propanone (598-31-2): Acetylgroup
Structure of Bromo-2-propanone (598-31-2):

XLogP3-AA: 0.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: 1-Bromopropan-2-one
SMILES: BrCC(=O)C
InChI: InChI=1/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKey: VQFAIAKCILWQPZ-UHFFFAOYAC
Std. InChI: InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
Std. InChIKey: VQFAIAKCILWQPZ-UHFFFAOYSA-N

Uses

Bromo-2-propanone (598-31-2) can be used as a chemical war gas.

Toxicity Data With Reference

ihl-hmn LCLo:572 ppm/10M

NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB214-270 .

Safety Profile

A poisonous gas. Moderately toxic to humans by inhalation. When heated to decomposition it emits toxic fumes of Br⁻. See also BROMIDES.

Risk Statements:
11: Highly Flammable
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection

Standards and Recommendations

DOT Classification: 6.1; Label: Poison

Specification

Bromo-2-propanone (598-31-2) also can be called 1-Bromoacetone ; alpha-Bromoacetone ; Acetonyl bromide ; 2-Propanone, 1-bromo- ; 1-Bromo-2-propanone ;and Martonite .It is a clear colorless liquid turning violet on standing, even in the absence of air, and decomposing to a black resinous mass on long standing. Denser than water and poorly soluble in water. Hence sinks in water. A violent lachrymator--low concentrations are very irritating to the eyes; high concentrations or prolonged exposure at lower concentrations may have adverse health effects. Very toxic by inhalation. Contact with the liquid causes painful burns.