Basic information
- Standard SMILES
NS(=O)(=O)c1ccccc1-c1ccccc1- InChIKey
SBXDENYROQKXBE-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- 2-Phenylbenzene-1-sulfonamide
- IUPAC
- 2-phenylbenzenesulfonamide
- English name
- 2-phenylbenzene-1-sulfonamide
- Molecular formula
- C12H11NO2S
- Molecular weight
- 233.29
Names & synonyms
[1,1'-Biphenyl]-2-sulfonamide2-phenylbenzene-1-sulfonamide(1,1'-Biphenyl)-2-sulfonamideRefChem:478135841-176-640182-06-72-phenylbenzenesulfonamidebiphenylsulfonamidebiphenyl sulfonamide2-biphenylsulfonamide2-biphenylylsulfonamideSCHEMBL48885
Show more names
1,1'-Biphenyl]-2-sulfonamide
SCHEMBL2084351,1'-biphenyl-2-sulfonamideSCHEMBL2643658SCHEMBL6640007SCHEMBL7366015SCHEMBL8477910SCHEMBL8484278CHEMBL4091235
Database identifiers
- CAS
40182-06-7- PubChem CID
- 12371520
- DTXSID
DTXSID50494854- ChEMBL
CHEMBL4091235- EC Number
- 841-176-6
- Nikkaji
- J3.611.419C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 121 · 121-122 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 443.1 · 443.1±38.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.60(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P272-P280g-P285-P302+P352-P304+P341-P333+P313-P342+P311-P363-P403-P501c
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H317-H334
- Precautionary statements
- P261-P272-P280g-P285-P302+P352-P304+P341-P333+P313-P342+P311-P363-P403-P501c
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
18 records
Linked notes
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