2,6-Difluorophenyl isothiocyanate
Properties
- Molecular formula
- C7H3F2NS
- Molar mass
- 171.16 g/mol
- Exact mass
- 170.9954 Da
- logP
- 2.70Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P403, P405, P501
Identifiers
CAS number
207974-17-2SMILES
C1=CC(=C(C(=C1)F)N=C=S)FInChIKey
DBSXNGIBAKYMSS-UHFFFAOYSA-NInChI
InChI=1S/C7H3F2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,6-Difluorophenyl isothiocyanate
Similar compounds
1,3,5-Trifluoro-2-isothiocyanatobenzene206761-91-361 % similar
2-Fluorophenyl isothiocyanate38985-64-761 % similar
2,6-Difluorophenyl isocyanate65295-69-457 % similar
2,3,5,6-Tetrafluorophenyl isothiocyanate207981-49-555 % similar
2,3,5,6-Tetrafluorophenyl isothiocyanate20925-31-955 % similar
2,6-Dichlorophenyl isothiocyanate6590-95-054 % similar
2-Isothiocyanato-1,3-dimethylbenzene19241-16-852 % similar
3-Fluorophenyl isothiocyanate404-72-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.