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| CAS No.: | 506-96-7 |
|---|---|
| Name: | Acetyl bromide |
| Molecular Structure: | |
|
|
|
| Formula: | C2H3BrO |
| Molecular Weight: | 122.949 |
| Synonyms: | Acetic acid, bromide;Ethanoyl bromide; |
| EINECS: | 208-061-7 |
| Density: | 1.711 g/cm3 |
| Melting Point: | -96 °C |
| Boiling Point: | 75.8 °C at 760 mmHg |
| Flash Point: | 49.6 °C |
| Solubility: | reacts in water |
| Appearance: | colorless fuming liquid with a pungent odor |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-45-9-25 |
| Transport Information: | UN 1716 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 0.92780 |
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| Conditions | Yield |
|---|---|
| for 50h; UV-irradiation; | A 95% B 74% |
| UV-irradiation; | A n/a B 74% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 55 - 85℃; for 1.83333h; Temperature; | 94% |
| Conditions | Yield |
|---|---|
| With bromocyane; triphenylphosphine | 74% |
| With phosphorus tribromide | |
| With acetic anhydride; phosphorus tribromide |
- 75-62-7
Bromotrichloromethane
- 201230-82-2
carbon monoxide
A
- 74-83-9
methyl bromide
D
- 506-96-7
Acetyl bromide
E
- 67-64-1
acetone
| Conditions | Yield |
|---|---|
| In dichloromethane-d2 Irradiation (UV/VIS); 355-385 nm light; | A n/a B 43% C 40% D n/a E n/a |
- 108-86-1
bromobenzene
- 507-02-8
acetyl iodide
A
- 591-50-4
iodobenzene
B
- 506-96-7
Acetyl bromide
C
- 431-03-8
dimethylglyoxal
| Conditions | Yield |
|---|---|
| for 50h; UV-irradiation; | A 9% B 20% C 16% |
| for 50h; UV-irradiation; | A 9% B 20% C 16% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; pyrographite |
| Conditions | Yield |
|---|---|
| at 140 - 150℃; |
| Conditions | Yield |
|---|---|
| With diethyl ether; hydrogen bromide at 10℃; |
- 53907-33-8
acetic acid 1-bromo-2-oxo-2-phenyl-ethyl ester
- 506-96-7
Acetyl bromide
| Conditions | Yield |
|---|---|
| at 20℃; |
- Total:32 Page 1 of 1 1
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Chemistry
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IUPAC Name: Acetyl bromide
Molecular Formula: C2H3BrO
Molecular Weight: 122.95 g/mol
SMILES: C(C)(=O)Br
InChI: InChI=1/C2H3BrO/c1-2(3)4/h1H3
EINECS: 208-061-7
Product Categories: Pharmaceutical Intermediates; Acid Halides; Carbonyl Compounds; Organic Building Blocks
Water Solubility: REACTS
Sensitive: Moisture Sensitive
Index of Refraction: 1.443
Molar Refractivity: 19.07 cm3
Molar Volume: 71.8 cm3
Polarizability: 7.56×10-24 cm3
Surface Tension: 30.5 dyne/cm
Density: 1.711 g/cm3
Flash Point: 49.6 °C
Enthalpy of Vaporization: 31.69 kJ/mol
Boiling Point: 75.8 °C at 760 mmHg
Melting Point: -96 °C
Vapour Pressure of Acetyl bromide (CAS NO.506-96-7): 103 mmHg at 25 °C
Uses
Acetyl bromide (CAS NO.506-96-7) can be used in the synthetic process of the Anti-HIV Agent.
Production
Acetyl bromide (CAS NO.506-96-7) is an acyl bromide compound. As is expected, it may be prepared by reaction between phosphorus tribromide and acetic acid:
3 CH3COOH + PBr3 → 3 CH3COBr + H3PO3
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 48gm/m3 (48000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
| mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. |
Safety Profile
Hazard Codes: 
C
Risk Statements: 14-34
R14: Reacts violently with water.
R34: Causes burns.
Safety Statements: 26-36/37/39-45-9-25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S9: Keep container in a well-ventilated place.
S25: Avoid contact with eyes.
RIDADR: UN 1716 8/PG 2
WGK Germany: 3
RTECS: AO5955000
F: 9-21
HazardClass: 8
PackingGroup: II
HS Code of Acetyl bromide (CAS NO.506-96-7): 29159080
Specification
Acetyl bromide (CAS NO.506-96-7), its Synonyms are Acetic acid, bromide ; Ethanoyl bromide . It is a colorless fuming liquid with a pungent odor.