Bromobenzene
Plain text
Chemfused. (2026). Bromobenzene, CAS 108-86-1. Retrieved 2026-04-28 from https://chemfused.com/cas/108-86-1
BibTeX
@misc{chemfused-cas-108861,
title = {Bromobenzene, CAS 108-86-1},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/108-86-1},
urldate = {2026-04-28}
}
Bromobenzene (CAS 108-86-1) is a chemical compound with molecular formula C6H5Br and molecular weight 157.01 g/mol . GHS signal word: Warning. Hazard classifications: Flammable, Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment.
What is Bromobenzene?
- Molecular Formula
- C6H5Br
- Molecular Weight
- 157.01 g/mol
- Melting Point
- -24 °F (NTP, 1992)
- Boiling Point
- 313 °F at 760 mmHg (NTP, 1992)
- Density
- 1.49 at 77 °F (USCG, 1999) - Denser than water; will sink
- Solubility
- less than 1 mg/mL at 68.9 °F (NTP, 1992)
Description
Bromobenzene is the simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. 30C; b.p.760 156C), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis. It has a role as a non-polar solvent, a hepatotoxic agent and a mouse metabolite. It is a volatile organic compound, a bromoarene and a member of bromobenzenes.
Structure Identifiers
- SMILES
- C1=CC=C(C=C1)Br
- InChI
- InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
- InChIKey
- QARVLSVVCXYDNA-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 155.9575 Da
- XLogP
- 3.00
- TPSA
- 0.0 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 0
- Complexity
- 46
- Formal Charge
- 0
Experimental
Measured physical and chemical properties from experimental literature.
- Color / Form
- MOBILE LIQUID
- Odor
- AROMATIC ODOR
- Vapor Pressure
- 5 mmHg at 82 °F ; 10 mmHg at 104 °F; 20 mmHg at 128.8 °F (NTP, 1992)
- LogP
- log Kow = 2.99
- Other
- HEAT OF MELTING 16.186 CAL/G @ 15 °C; SPECIFIC HEAT @ 26.84 °C: 0.2368
Safety information
Signal Word
GHS Pictograms
GHS02
GHS06
GHS07
GHS08
GHS09
Hazard Statements
- H226 Flammable liquid and vapour
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P233 Keep container tightly closed
- P240 Ground/bond container and receiving equipment
- P241 Use explosion-proof electrical/ventilating/lighting equipment
- P242 Use only non-sparking tools
- P243 Take precautionary measures against static discharge
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P271 Use only outdoors or in a well-ventilated area
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P370+P378 In case of fire: Use appropriate media for extinction
- P391 Collect spillage
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P403+P235 Store in a well-ventilated place. Keep cool
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (88)
- PhBr
- B0439
- BR1026
- C6H5Br
- UN2514
- FB01381
- HSDB 47
- NSC6529
- Q410597
- UN 2514
- WLN: ER
- 108-86-1
- NSC 6529
- NSC-6529
- STR00651
- 203-623-8
- AI3-09059
- MSK000089
- STL264221
- 52753-63-6
- brombenzol
- CCRIS 5887
- CHEBI:3179
- CO4D5J547L
- EBC-613083
- F1908-0102
- HMS2269P12
- NCI-C55492
- NS00003760
- brombenzene
- BROMOBENZOL
- bromobezene
- CHEMBL16068
- EN300-19359
- SCHEMBL1542
- SCHEMBL3459
- SCHEMBL4313
- BROMOBENZENE
- CAS-108-86-1
- DTXCID304637
- MFCD00000055
- MLS000515541
- MLS002415720
- RefChem:5616
- SCHEMBL20380
- SMR000112021
- Tox21_200849
- AKOS000120123
- bromo benzene
- BROMO-BENZENE
Show 38 more names Show fewer names
- DTXSID5024637
- Phenylbromide
- SCHEMBL646596
- 1-Bromobenzene
- 2-Bromobenzene
- 3-bromobenzene
- 4-bromobenzene
- Phenyl bromide
- SCHEMBL2158200
- SCHEMBL3711452
- SCHEMBL3712112
- SCHEMBL4633453
- SCHEMBL5584111
- SCHEMBL6720075
- 1-bromo-benzene
- Benzene, bromo-
- MSK000089-1000M
- NCGC00091842-01
- NCGC00091842-02
- NCGC00091842-03
- NCGC00091842-04
- NCGC00258403-01
- UNII-CO4D5J547L
- EINECS 203-623-8
- Monobromobenzene
- BROMOBENZENE [MI]
- BROMOBENZENE [HSDB]
- Bromobenzene, LR, >=99%
- Pirfenidone Impurity 33
- Pirfenidone EP Impurity D
- Bromobenzene, >=99.5% (GC)
- Bromobenzene, ReagentPlus(R), 99%
- Bromobenzene, for synthesis, 99.5%
- InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5
- Bromobenzene 100 microg/mL in Methanol
- Bromobenzene [UN2514] [Flammable liquid]
- Bromobenzene(Discontinued,See C4X-222933)
- Bromobenzene Solution in Methanol, 1000_g/mL
Frequently asked questions
What is the CAS number of Bromobenzene?
The CAS Registry Number for Bromobenzene is 108-86-1.
What is the molecular formula of Bromobenzene?
Bromobenzene has the molecular formula C6H5Br and a molecular weight of 157.01 g/mol.
What is the SMILES notation for Bromobenzene?
The SMILES notation for Bromobenzene is C1=CC=C(C=C1)Br.
What is the melting point of Bromobenzene?
The melting point of Bromobenzene is -24 °F (NTP, 1992).
What is the boiling point of Bromobenzene?
The boiling point of Bromobenzene is 313 °F at 760 mmHg (NTP, 1992).
What is the density of Bromobenzene?
The density of Bromobenzene is 1.49 at 77 °F (USCG, 1999) - Denser than water; will sink.
How soluble is Bromobenzene?
Solubility of Bromobenzene: less than 1 mg/mL at 68.9 °F (NTP, 1992).
Is Bromobenzene hazardous?
Bromobenzene carries the following GHS hazard classifications: Flammable, Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment. Signal word: Warning.
What are other names for Bromobenzene?
Bromobenzene is also known as 1-bromo-benzene, 1-Bromobenzene, 108-86-1, 2-Bromobenzene, 203-623-8.
Data sourced from PubChem CID 7961. Last updated .
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