2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile
Properties
- Molecular formula
- C14H10FNOS
- Molar mass
- 259.30 g/mol
- Exact mass
- 259.0467 Da
- logP
- 4.21Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H331 Toxic if inhaled50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
148901-52-4SMILES
CSC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#NInChIKey
KIJMTRJIUKHLPE-UHFFFAOYSA-NInChI
InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile
Similar compounds
2-Fluoro-6-phenoxybenzonitrile175204-06-569 % similar
2-Fluoro-6-(4-methylphenoxy)benzonitrile175204-08-769 % similar
2-Fluoro-6-(4-fluorophenoxy)benzonitrile175204-07-668 % similar
2-Fluoro-6-methoxybenzonitrile94088-46-755 % similar
2,6-Difluorobenzonitrile1897-52-547 % similar
2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-646 % similar
2-Fluoro-6-(4-methylbenzyloxy)benzonitrile175204-09-845 % similar
2-Fluoro-6-methylbenzonitrile198633-76-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.