Basic information
- CAS
368-50-3- Standard SMILES
Nc1cccc(S(=O)(=O)F)c1- InChIKey
PLSYVJDMJWGODG-UHFFFAOYSA-N- Molecular formula
- C6H6FNO2S
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.01032777
Names & identifiers
- Preferred name
- 3-Aminobenzene-1-sulfonyl fluoride
- IUPAC
- 3-aminobenzenesulfonyl fluoride
- English name
- 3-Aminobenzenesulfonyl fluoride
- Molecular formula
- C6H6FNO2S
- Molecular weight
- 175.18
Names & synonyms
3-Aminobenzenesulfonyl fluoride3-aminobenzene-1-sulfonyl fluorideRefChem:497705826-135-2368-50-3Metanilyl fluorideBenzenesulfonyl fluoride, 3-amino-m-Aminobenzenesulfonyl fluoride3-amino-benzenesulfonyl fluorideMFCD00047847P84M5S3FJLNSC-87540
Show more names
3-aminobenzene-1-sulfonyl fluoride3-amino-benzene-1-sulphonyl fluoride
NSC 875403-(Fluorosulfonyl)anilineBRN 2641150m-fluorosulfonyl anilineWLN: ZR CSWFUNII-P84M5S3FJL3-14-00-01908 (Beilstein Handbook Reference)3-azanylbenzenesulfonyl fluoride
Database identifiers
- CAS
368-50-3- PubChem CID
- 67780
- DTXSID
DTXSID10190269- UNII
- P84M5S3FJL
- EC Number
- 826-135-2
- Nikkaji
- J41.347J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 160 · 160-161 °C(Press: 14 Torr)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 2.15 · 2.15±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- FDA UNII
- 84 M5S3FJL · P84M5S3FJL
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H332-H314
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H332-H314
- Precautionary statements
- P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Related reactions
2 records
Compound notes
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