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Cas Database |
| Name |
1-Bromoacetone |
EINECS | 209-928-2 |
| CAS No. | 598-31-2 | Density | 1.55 g/cm3 |
| PSA | 17.07000 | LogP | 0.97030 |
| Solubility | N/A | Melting Point |
-36.5 °C |
| Formula | C3H5BrO | Boiling Point | 136.999 °C at 760 mmHg |
| Molecular Weight | 136.976 | Flash Point | 75.324 °C |
| Transport Information | UN 1569 | Appearance | clear colorless liquid |
| Safety | 26-36/37/39 | Risk Codes | 11-23/24/25-34 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 135 |
1-Bromoacetone Synthetic route
- 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 | Yield |
|---|---|
| at 25 - 35℃; for 1h; Product distribution; other temperature; | A n/a B 99% C n/a |
- 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 | Yield |
|---|---|
| at 25 - 35℃; for 1h; Product distribution; other temperature; | A n/a B 99% C n/a |
| 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 | 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
C
- 598-31-2
1-bromoacetone
| Conditions | Yield |
|---|---|
| With ozone at 0℃; for 0.833333h; | A 40.75% B 53% C 90% |
| 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% |
| Conditions | Yield |
|---|---|
| With ozone at 0℃; for 0.416667h; | A 89% B n/a |
| 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
B
- 598-31-2
1-bromoacetone
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In water at 20℃; regioselective reaction; | A 75.4% B n/a |
| 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; |
1-Bromoacetone Chemical Properties
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
1-Bromoacetone Uses
Bromo-2-propanone (598-31-2) can be used as a chemical war gas.
1-Bromoacetone Toxicity Data With Reference
| 1. | 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 . |
1-Bromoacetone 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
1-Bromoacetone Standards and Recommendations
DOT Classification: 6.1; Label: Poison
1-Bromoacetone 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.
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