Completing data — usually done within a minute
Basic information
- CAS
78225-74-8- Standard SMILES
O=C(N=C=S)c1ccc(F)cc1- InChIKey
GZMSWUYBYCVYKI-UHFFFAOYSA-N- Molecular formula
- C8H4FNOS
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 180.99976297
Names & identifiers
- Preferred name
- 4-Fluorobenzoyl isothiocyanate
- IUPAC
- 4-fluorobenzoyl isothiocyanate
Names & synonyms
4-fluorobenzoyl isothiocyanate78225-74-8DTXSID60290147RefChem:292906DTXCID40241293805-214-5NSC67049MFCD121887064-fluorobenzoylisothiocyanateSCHEMBL572232GZMSWUYBYCVYKI-UHFFFAOYSA-NDDA22574
Show more names
NSC-67049AKOS0090750214-Fluoro-1-benzenecarbonyl isothiocyanateDS-0150104-Fluoro-n-(sulfanylidenemethylidene)benzamideEN300-21908G65661
Database identifiers
- CAS
78225-74-8- PubChem CID
- 249089
- DTXSID
DTXSID60290147- EC Number
- 805-214-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Safety & regulation
GHS classification
GHS Classification
Danger
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
17 records
Compound notes
Loading…