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506-96-7

Basic Information
CAS No.: 506-96-7
Name: Acetyl bromide
Article Data: 66
Molecular Structure:
Molecular Structure of 506-96-7 (Acetyl bromide)
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: CorrosiveC
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
Synthetic route
507-02-8

acetyl iodide

106-37-6

1.4-dibromobenzene

A

506-96-7

Acetyl bromide

B

624-38-4

para-diiodobenzene

Conditions
ConditionsYield
for 50h; UV-irradiation;A 95%
B 74%
UV-irradiation;A n/a
B 74%
60-35-5

acetamide

506-96-7

Acetyl bromide

Conditions
ConditionsYield
With hydrogen bromide at 55 - 85℃; for 1.83333h; Temperature;94%
64-19-7

acetic acid

506-96-7

Acetyl bromide

Conditions
ConditionsYield
With bromocyane; triphenylphosphine74%
With phosphorus tribromide
With acetic anhydride; phosphorus tribromide

CpRe(CO)2(COCH3)(CH3)

75-62-7

Bromotrichloromethane

201230-82-2

carbon monoxide

A

74-83-9

methyl bromide

CpRe(CO)2(CH3)Br

CpRe(CO)2(COCH3)Br

D

506-96-7

Acetyl bromide

E

67-64-1

acetone

Conditions
ConditionsYield
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
ConditionsYield
for 50h; UV-irradiation;A 9%
B 20%
C 16%
for 50h; UV-irradiation;A 9%
B 20%
C 16%
463-51-4

Ketene

506-96-7

Acetyl bromide

Conditions
ConditionsYield
With hydrogen bromide; pyrographite
14921-00-7

cyanuric bromide

64-19-7

acetic acid

A

506-96-7

Acetyl bromide

B

108-80-5

isocyanuric acid

Conditions
ConditionsYield
at 140 - 150℃;
108-22-5

Isopropenyl acetate

506-96-7

Acetyl bromide

Conditions
ConditionsYield
With diethyl ether; hydrogen bromide at 10℃;
67-66-3

chloroform

98556-92-4

acetic acid-(2,4,6,N-tetrabromo-anilide)

506-96-7

Acetyl bromide

53907-33-8

acetic acid 1-bromo-2-oxo-2-phenyl-ethyl ester

506-96-7

Acetyl bromide

Conditions
ConditionsYield
at 20℃;
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    CAS:506-96-7 Acetyl bromide

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Chemistry


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: CorrosiveC
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.