1-Bromo-2,4-dichlorobenzene
Properties
- Molecular formula
- C6H3BrCl2
- Molar mass
- 225.89 g/mol
- Exact mass
- 223.8795 Da
- Melting point
- 26 °C
- Boiling point
- 235 °C
- logP
- 3.76Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H335 May cause respiratory irritation95.7% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1193-72-2SMILES
Clc1ccc(Br)c(Cl)c1InChIKey
ISHYFWKKWKXXPL-UHFFFAOYSA-NInChI
InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1-bromo-2,4-dichloro-
- 2,4-Dichlorobromobenzene
- 2,4-Dichloro-1-bromobenzene
- NSC 158360
- 4-Bromo-1,3-dichlorobenzene
Work with 1-Bromo-2,4-dichlorobenzene
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
1-Bromo-2-chlorobenzene694-80-464 % similar
1,4-Dibromo-2-chlorobenzene3460-24-060 % similar
4-Bromo-3-chlorotoluene6627-51-658 % similar
1,2,4-Trichlorobenzene120-82-157 % similar
1-Bromo-2-chloro-4-fluorobenzene110407-59-556 % similar
4-Bromo-3-chlorophenol13631-21-556 % similar
2-Bromo-5-chlorophenol13659-23-956 % similar
1-Bromo-4-chloro-2-methylbenzene14495-51-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.