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Substance Name: Benzyl bromide
RN: 100-39-0
UNII: XR75BS721D
InChIKey: AGEZXYOZHKGVCM-UHFFFAOYSA-N
Classification Code
- Mutation Data
Molecular Formula
- C7-H7-Br
Molecular Weight
- 171.0363
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Names and Synonyms
Name of Substance
- Benzyl bromide
Synonyms
- (Bromomethyl)benzene
- 1-Bromotoluene
- AI3-15300
- alpha-Bromotoluene
- Benzene, (bromomethyl)-
- Benzyl bromide
- Bromophenylmethane
- CCRIS 5980
- Cyclite
- EC 202-847-3
- EINECS 202-847-3
- HSDB 369
- NSC 8041
- Phenylmethyl bromide
- Toluene, alpha-bromo-
- UNII-XR75BS721D
Systematic Names
- alpha-Bromotoluene
- Benzene, (bromomethyl)-
- Toluene, alpha-bromo-
Superlist Names
- Benzyl bromide
- Benzyl bromide [UN1737] [Poison]
- UN1737
Registry Numbers
CAS Registry Number
- 100-39-0
FDA UNII
- XR75BS721D
Other Registry Number
- 1401918-81-7
System Generated Number
- 0000100390
Structure Descriptors
InChI
InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2InChIKey
AGEZXYOZHKGVCM-UHFFFAOYSA-NSmiles
BrCc1ccccc1Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -3.00E+00 | deg C | EXP | |
Boiling Point | 201 | deg C | EXP | |
log P (octanol-water) | 2.92 | (none) | EXP | |
Water Solubility | 385 | mg/L | 25 | EST |
Vapor Pressure | 0.390 | mm Hg | 25 | EST |
Henry's Law Constant | 6.90E-04 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.27E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.