3,4-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
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H302+H332 Harmful if swallowed or if inhaled25% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
113028-75-4SMILES
C1=CC(=C(C=C1N=C=S)F)FInChIKey
SVZKYXSJICYUOH-UHFFFAOYSA-NInChI
InChI=1S/C7H3F2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3,4-Difluorophenyl isothiocyanate
Similar compounds
Bitoscanate4044-65-956 % similar
4-Fluorophenyl isothiocyanate1544-68-955 % similar
3-Fluorophenyl isothiocyanate404-72-855 % similar
4-Isothiocyanato-1,2-dimethylbenzene19241-17-950 % similar
4-Isothiocyanato-1,2-dimethoxybenzene33904-04-050 % similar
1,2-Dichloro-4-isothiocyanatobenzene6590-94-950 % similar
1,3,5-Trifluoro-2-isothiocyanatobenzene206761-91-347 % similar
2-Fluorophenyl isothiocyanate38985-64-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds