3-Chlorobenzyl alcohol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Melting point
- 236 °C
- Boiling point
- 237 °C
- logP
- 1.83Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H412 Harmful to aquatic life with long lasting effects50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
873-63-2SMILES
OCc1cccc(Cl)c1InChIKey
ZSRDNPVYGSFUMD-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenemethanol, 3-chloro-
- Benzyl alcohol, m-chloro-
- 3-Chlorobenzenemethanol
- m-Chlorobenzyl alcohol
- (3-Chlorophenyl)methanol
Work with 3-Chlorobenzyl alcohol
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
1,3-Benzenedimethanol626-18-668 % similar
2-(3-Chlorophenyl)ethanol5182-44-563 % similar
3,5-Dichlorobenzylic alcohol60211-57-663 % similar
m,Alpha-Dichlorotoluene620-20-258 % similar
4-Chlorobenzyl alcohol873-76-756 % similar
3-Chlorobenzylamine4152-90-356 % similar
3-Fluorobenzyl alcohol456-47-356 % similar
3-Hydroxybenzyl alcohol620-24-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.