2-Fluorobenzyl isothiocyanate
Properties
- Molecular formula
- C8H6FNS
- Molar mass
- 167.20 g/mol
- Exact mass
- 167.0205 Da
- logP
- 2.43Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
64382-80-5SMILES
C1=CC=C(C(=C1)CN=C=S)FInChIKey
HHJNPMOABDDXEL-UHFFFAOYSA-NInChI
InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluorobenzyl isothiocyanate
Similar compounds
1-Chloro-2-(isothiocyanatomethyl)benzene18967-44-758 % similar
1-Naphthalenemethyl isothiocyanate17112-82-256 % similar
Benzyl isothiocyanate622-78-652 % similar
2-Fluorophenyl isothiocyanate38985-64-748 % similar
2,6-Difluorophenyl isothiocyanate207974-17-245 % similar
2-Fluorobenzeneacetonitrile326-62-545 % similar
2-Fluorobenzyl chloride345-35-744 % similar
2-Fluorobenzyl bromide446-48-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.