Basic information
- CAS
402-36-8- Standard SMILES
O=C=Nc1cccc(S(=O)(=O)F)c1- InChIKey
MXNBVYUXLFKJKX-UHFFFAOYSA-N- Molecular formula
- C7H4FNO3S
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 200.98959233
Names & identifiers
- Preferred name
- 3-Isocyanatobenzenesulfonyl fluoride
- IUPAC
- 3-isocyanatobenzenesulfonyl fluoride
- English name
- 3-isocyanatobenzenesulphonyl fluoride
- Molecular formula
- C7H4FNO3S
- Molecular weight
- 201.1749632
Names & synonyms
402-36-83-isocyanatobenzenesulfonyl fluorideISOCYANIC ACID, m-(FLUOROSULFONYL)PHENYL ESTERDTXSID50193193RefChem:1068063DTXCID60115684206-941-53-Isocyanatobenzenesulphonyl fluoride3-isocyanatobenzene-1-sulfonyl fluoride3-Isocyanato-benzenesulfonyl fluoridem-Fluorosulfonylphenyl isocyanateBenzenesulfonyl fluoride, 3-isocyanato-
Show more names
3-(Fluorosulfonyl)phenyl isocyanate
MFCD00007414EINECS 206-941-5NSC 100726BRN 2370947starbld00369443-14-00-01912 (Beilstein Handbook Reference)m-fluorosulfonylphenylisocyanateorb1985949
Database identifiers
- CAS
402-36-8- PubChem CID
- 9819
- DTXSID
DTXSID50193193- EC Number
- 206-941-5
- Nikkaji
- J41.088H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 25 °C · 25 °C
- Boiling point
- 154 · 154-156 °C(Press: 31-32 Torr)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
3 records
Compound notes
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