4-Bromobenzyl chloride
Properties
- Molecular formula
- C7H6BrCl
- Molar mass
- 205.48 g/mol
- Exact mass
- 203.9341 Da
- Melting point
- 50 °C
- Boiling point
- 236 °C
- logP
- 3.19Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H335 May cause respiratory irritation15.2% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
589-17-3SMILES
ClCc1ccc(Br)cc1InChIKey
BSIIGUGKOPPTPZ-UHFFFAOYSA-NInChI
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1-bromo-4-(chloromethyl)-
- Toluene, p-bromo-α-chloro-
- 1-Bromo-4-(chloromethyl)benzene
- p-Bromobenzyl chloride
- p-Bromo-α-chlorotoluene
- α-Chloro-4-bromotoluene
Work with 4-Bromobenzyl chloride
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
Similar compounds
Alpha,alpha'-Dichloro-p-xylene623-25-667 % similar
4,4′-Bis(chloromethyl)biphenyl1667-10-357 % similar
1-Bromo-3-(chloromethyl)benzene932-77-454 % similar
4-Chlorobenzyl chloride104-83-652 % similar
4-Fluorobenzyl chloride352-11-452 % similar
4-Bromobenzyl bromide589-15-152 % similar
Benzyl chloride100-44-750 % similar
4-Methylbenzyl chloride104-82-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.