4-Chlorobenzyl mercaptan
Properties
- Molecular formula
- C7H7ClS
- Molar mass
- 158.64 g/mol
- Exact mass
- 157.9957 Da
- Melting point
- 19.5 °C
- Boiling point
- 66–67 °C (at 0.4 Torr)
- logP
- 2.77Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed16.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled18.8% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6258-66-8SMILES
SCc1ccc(Cl)cc1InChIKey
GKQXPTHQTXCXEV-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Benzenemethanethiol, 4-chloro-
- α-Toluenethiol, p-chloro-
- 4-Chlorobenzenemethanethiol
- p-Chlorobenzyl mercaptan
- p-Chlorobenzenemethanethiol
- (p-Chlorophenyl)methanethiol
- 4-Chloro-α-toluenethiol
- p-Chloro-α-toluenethiol
- (4-Chlorophenyl)methanethiol
- 4-Chlorobenzylthiol
- NSC 108735
- NSC 203281
- p-Chlorobenzylthiol
Work with 4-Chlorobenzyl mercaptan
Similar compounds
1,4-Benzenedimethanethiol105-09-967 % similar
4-Chlorobenzyl chloride104-83-652 % similar
Benzyl mercaptan100-53-850 % similar
4-Chlorobenzylamine104-86-950 % similar
1,4-Dichlorobenzene106-46-750 % similar
p-Fluorotoluene-alpha-thiol15894-04-950 % similar
4-Bromobenzyl mercaptan19552-10-450 % similar
4-Methylbenzyl mercaptan4498-99-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds