Basic information
- CAS
6314-72-3- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1- InChIKey
BPLSJCLWJLIHTI-UHFFFAOYSA-N- Molecular formula
- C13H11NO4S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.04087901
Names & identifiers
- Preferred name
- 4-(Phenylsulfamoyl)benzoic acid
- IUPAC
- 4-(phenylsulfamoyl)benzoic acid
- English name
- 4-Phenylsulfamoyl-benzoic acid
- Molecular formula
- C13H11NO4S
- Molecular weight
- 277.3
Names & synonyms
4-(phenylsulfamoyl)benzoic acidDTXSID20979108RefChem:516620DTXCID301406412842-445-06314-72-34-phenylsulfamoyl-benzoic acid4-(n-phenylsulfamoyl)benzoic acidMFCD02699242NSC23008Benzoic acid, 4-[(phenylamino)sulfonyl]-4-[(phenylamino)sulfonyl]Benzoic acid
Show more names
4-Phenylsulfamoyl-Benzoic Acid(WX612172)
Oprea1_122525CHEMBL225943SCHEMBL3715141GAA31472NSC-23008STK981563AKOS000114668AS-39467
Database identifiers
- CAS
6314-72-3- PubChem CID
- 229359
- DTXSID
DTXSID20979108- ChEMBL
CHEMBL225943- EC Number
- 842-445-0
- Nikkaji
- J1.394.499G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers12 total
Hubei Chuchang Biotech Co., Ltd.+86-18727130788 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
湖北楚昌生物医药科技有限公司18 15623560702 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
吉林省沃达生物科技有限公司13504435624 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
上海锐谱医药科技有限公司15895968936 · [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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