Bromobenzene

C₆H₅BrCAS 108-86-1157.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅Br
Molar mass: 157.01 g/mol
Exact mass: 155.9575 Da
Density: 1.5 g/mL
Melting point: −30.7 °C
Boiling point: 156.2 °C
Flash point: 51 °C (closed cup)
Water solubility: miscible
logP: 2.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H315 Causes skin irritationSkin corrosion/irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P501

Identifiers

CAS number

108-86-1

SMILES

Brc1ccccc1

InChIKey

QARVLSVVCXYDNA-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Benzene, bromo-
Monobromobenzene
Phenyl bromide
NSC 6529
1-Bromobenzene
Bromobenzol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-86-1. Each row opens the sheet with its composition and PDF.

Bromobenzene 99 %Fisher Scientific UK · 2023-09-22

Open in the SDS library

Work with Bromobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bromobenzene-D54165-57-5Labelled

Similar compounds

4-Bromo-P-terphenyl1762-84-165 % similar 4-Bromobiphenyl92-66-065 % similar 1,4-Dibromobenzene106-37-662 % similar 1,3-Dibromobenzene108-36-156 % similar 4-Bromodiphenyl ether101-55-355 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-755 % similar Benzene,1,1'-(1,2-diphenyl-1,2-ethenediyl)bis[4-bromo-184239-35-855 % similar Bis(4-bromophenyl)-diphenyl-silane18733-91-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia