Pentafluorophenylisothiocyanate
Properties
- Molecular formula
- C7F5NS
- Molar mass
- 225.14 g/mol
- Exact mass
- 224.9672 Da
- logP
- 3.12Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed95.6% of notifiers
- H312 Harmful in contact with skin95.6% of notifiers
- H314 Causes severe skin burns and eye damage11.1% of notifiers
- H315 Causes skin irritation88.9% of notifiers
- H317 May cause an allergic skin reaction86.7% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H332 Harmful if inhaled95.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled86.7% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
35923-79-6SMILES
Fc1c(F)c(F)c(N=C=S)c(F)c1FInChIKey
NGNKMRBGZPDABE-UHFFFAOYSA-NInChI
InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzene, 1,2,3,4,5-pentafluoro-6-isothiocyanato-
- Benzene, pentafluoroisothiocyanato-
- 1,2,3,4,5-Pentafluoro-6-isothiocyanatobenzene
Work with Pentafluorophenylisothiocyanate
Similar compounds
2,3,5,6-Tetrafluorophenyl isothiocyanate207981-49-564 % similar
2,3,5,6-Tetrafluorophenyl isothiocyanate20925-31-964 % similar
2,6-Difluorophenyl isothiocyanate207974-17-248 % similar
1,3,5-Trifluoro-2-isothiocyanatobenzene206761-91-346 % similar
4-Fluorophenyl isothiocyanate1544-68-939 % similar
2,6-Dichlorophenyl isothiocyanate6590-95-039 % similar
2-Isothiocyanato-1,3-dimethylbenzene19241-16-838 % similar
Bitoscanate4044-65-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.