2-Chlorobenzyl alcohol
Properties
- Molecular formula
- C7H7ClO
- Molar mass
- 142.58 g/mol
- Exact mass
- 142.0185 Da
- Melting point
- 73 °C
- Boiling point
- 230 °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
Aggregated from 3 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
17849-38-6SMILES
OCc1ccccc1ClInChIKey
MBYQPPXEXWRMQC-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzenemethanol, 2-chloro-
- Benzyl alcohol, o-chloro-
- 2-Chlorobenzenemethanol
- o-Chlorobenzyl alcohol
- (2-Chlorophenyl)methanol
- o-Chlorobenzenemethanol
Work with 2-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
1,2-Benzenedimethanol612-14-662 % similar
2-Chlorobenzeneethanol19819-95-562 % similar
2,4-Dichlorobenzyl alcohol1777-82-859 % similar
2,5-Dichlorobenzylic alcohol34145-05-659 % similar
2,6-Dichlorobenzyl alcohol15258-73-858 % similar
2-Chlorobenzyl chloride611-19-856 % similar
(5-Bromo-2-chlorophenyl)methanol149965-40-255 % similar
2-Chloro-4-fluorobenzyl alcohol208186-84-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.