3-Bromo-5-chlorophenol
Properties
- Molecular formula
- C6H4BrClO
- Molar mass
- 207.45 g/mol
- Exact mass
- 205.9134 Da
- Melting point
- 70 °C
- Boiling point
- 256 °C
- logP
- 2.81Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
56962-04-0SMILES
Oc1cc(Cl)cc(Br)c1InChIKey
GMGWXLPFRHYWAS-UHFFFAOYSA-NInChI
InChI=1S/C6H4BrClO/c7-4-1-5(8)3-6(9)2-4/h1-3,9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Phenol, 3-bromo-5-chloro-
Work with 3-Bromo-5-chlorophenol
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
5-Bromoresorcinol106120-04-164 % similar
1,3-Dibromo-5-chlorobenzene14862-52-364 % similar
Bromo-3,5-dichlorobenzene19752-55-764 % similar
3,5-Dichlorophenol591-35-564 % similar
3,5-Dibromophenol626-41-564 % similar
1-Bromo-3-chloro-5-iodobenzene13101-40-150 % similar
3-Bromo-5-chlorobenzaldehyde188813-05-050 % similar
3-Chloro-5-fluorophenol202982-70-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.