Basic information
- CAS
1494-85-5- Standard SMILES
Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1- InChIKey
QYVUQEQLEFFAOW-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O2S
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.05252693
Names & identifiers
- Preferred name
- 4-Amino-N-(4-fluorophenyl)benzenesulfonamide
- IUPAC
- 4-amino-N-(4-fluorophenyl)benzenesulfonamide
- English name
- 4-Amino-N-(4-fluoro-phenyl)-benzenesulfonamide
- Molecular formula
- C12H11FN2O2S
- Molecular weight
- 266.29
Names & synonyms
4-amino-N-(4-fluorophenyl)benzenesulfonamide1494-85-5Sulfanilanilide, 4'-fluoro-DTXSID90164261RefChem:1070308DTXCID1086752Benzenesulfonamide, 4-amino-N-(4-fluorophenyl)-4'-FluorosulfanilanilideMFCD010161244-Amino-N-(4-fluoro-phenyl)-benzenesulfonamide4-amino-N-(4-fluorophenyl)benzene-1-sulfonamideZINC182607
Show more names
benzenesulfonylamide,4-amino-N-(4-fluorophenyl)-
BRN 2657936[(4-aminophenyl)sulfonyl](4-fluorophenyl)amine4'-Fluorosulfanil anilide4FLUOROSULFANILANILIDESULFANILANILIDE4FLUOROOprea1_419957Oprea1_5779993-14-00-01926 (Beilstein Handbook Reference)
Database identifiers
- CAS
1494-85-5- PubChem CID
- 200282
- DTXSID
DTXSID90164261- ChEMBL
CHEMBL227415- EC Number
- 155-648-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 163 · 163-164 °C
- Boiling point
- 441.6 · 441.6±55.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 8.94 · 8.94±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- Toxicity
- 50 · mouse,LD50,intraperitoneal,790mg/kg (790mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 65, 1941.
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
- Toxicity
- mouse,LD50,intraperitoneal,790mg/kg (790mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 65, 1941.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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