Basic information
- Name:
Acetyl bromide
- CAS No.:
506-96-7
- Molecular Structure:
- Formula:
- C2H3BrO
- Synonyms:
- Acetic acid, bromide;Ethanoyl bromide;
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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.
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