Basic information
- CAS
515-47-9- Standard SMILES
CC(C)NS(=O)(=O)c1ccc(F)cc1- InChIKey
VCQVCWMGKZCDLZ-UHFFFAOYSA-N- Molecular formula
- C9H12FNO2S
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.05727796
Names & identifiers
- Preferred name
- 4-Fluoro-N-(propan-2-yl)benzene-1-sulfonamide
- IUPAC
- 4-fluoro-N-propan-2-ylbenzenesulfonamide
- English name
- 4-Fluoro-N-isopropylbenzenesulfonamide
- Molecular formula
- C9H12FNO2S
- Molecular weight
- 217.26
Names & synonyms
515-47-94-fluoro-N-(propan-2-yl)benzene-1-sulfonamideDTXSID30355393RefChem:523354DTXCID00306453860-897-74-fluoro-N-isopropylbenzenesulfonamideN-ISOPROPYL 4-FLUOROBENZENESULFONAMIDE4-fluoro-N-propan-2-ylbenzenesulfonamideMFCD012130844-Fluoro-N-isopropyl-benzenesulfonamideSCHEMBL6804107
Show more names
4-Fluoro-N-(1-methylethyl)benzenesulfonamideBenzenesulfonamide, 4-fluoro-N-(1-methylethyl)-
HMS5161N12STK062831AKOS000673700SB77122BS-287224-fluoro-N-(propan-2-yl)benzenesulfonamideDB-371583[(4-fluorophenyl)sulfonyl](methylethyl)amine
Database identifiers
- CAS
515-47-9- PubChem CID
- 799031
- DTXSID
DTXSID30355393- EC Number
- 860-897-7
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 68 · 68-70°
- Boiling point
- 301.2 · 301.2±44.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 11.72 · 11.72±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers11 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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