4-Fluoro-2-methylphenyl isothiocyanate
Properties
- Molecular formula
- C8H6FNS
- Molar mass
- 167.20 g/mol
- Exact mass
- 167.0205 Da
- logP
- 2.87Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
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
- H330 Fatal 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
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
52317-97-2SMILES
CC1=C(C=CC(=C1)F)N=C=SInChIKey
WFIPMZZOAIIOOG-UHFFFAOYSA-NInChI
InChI=1S/C8H6FNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Fluoro-2-methylphenyl isothiocyanate
Similar compounds
2,4-Difluoro-1-isothiocyanatobenzene141106-52-764 % similar
1-Isothiocyanato-2,4-dimethylbenzene39842-01-864 % similar
1-Bromo-4-fluoro-2-isothiocyanatobenzene175205-35-360 % similar
4-Bromo-1-isothiocyanato-2-methylbenzene19241-38-460 % similar
4-Chloro-1-isothiocyanato-2-methylbenzene23165-53-960 % similar
2,5-Difluorophenyl isothiocyanate206559-57-159 % similar
2-Methylphenyl isothiocyanate614-69-755 % similar
2-Methyl-4-nitrophenyl isothiocyanate135805-96-851 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.