4-Fluorobenzenethiol
Properties
- Molecular formula
- C6H5FS
- Molar mass
- 128.16 g/mol
- Exact mass
- 128.0096 Da
- Melting point
- 49–51 °C
- Boiling point
- 162 °C
- logP
- 2.11Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor98.9% of notifiers
- H300 Fatal if swallowed48.9% of notifiers
- H310 Fatal in contact with skin48.9% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H317 May cause an allergic skin reaction48.9% of notifiers
- H319 Causes serious eye irritation96.6% of notifiers
- H330 Fatal if inhaled43.2% of notifiers
- H335 May cause respiratory irritation53.4% of notifiers
- H400 Very toxic to aquatic life48.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects48.9% of notifiers
Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
371-42-6SMILES
Fc1ccc(S)cc1InChIKey
OKIHXNKYYGUVTE-UHFFFAOYSA-NInChI
InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4-Fluorophenyl mercaptan
- (4-Fluorophenyl)thiol
- NSC 77081
- Benzenethiol, 4-fluoro-
- Benzenethiol, p-fluoro-
- p-Fluorobenzenethiol
- p-Fluorothiophenol
- 4-Fluorothiophenol
Work with 4-Fluorobenzenethiol
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
1,4-Difluorobenzene540-36-360 % similar
1,4-Benzenedithiol624-39-560 % similar
4,4′-Difluorobiphenyl398-23-250 % similar
4-Fluoropyridine694-52-045 % similar
Fluorobenzene462-06-644 % similar
p-Fluorotoluene-alpha-thiol15894-04-943 % similar
3,4-Difluorothiophenol60811-24-743 % similar
4-(Trifluoromethyl)thiophenol825-83-243 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.