Basic information
- CAS
34837-67-7- Standard SMILES
O=C(O)c1ccccc1NS(=O)(=O)c1ccccc1- InChIKey
KIAHUXDVSURYKM-UHFFFAOYSA-N- Molecular formula
- C13H11NO4S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.04087901
Names & identifiers
- Preferred name
- Benzoic acid, 2-((phenylsulfonyl)amino)-
- IUPAC
- 2-(benzenesulfonamido)benzoic acid
- English name
- 2-Benzenesulfonylamino-benzoic acid
- Molecular formula
- C13H11NO4S
- Molecular weight
- 277.3
Names & synonyms
34837-67-72-benzenesulfonamidobenzoic acid2-[(Phenylsulfonyl)amino]benzoic acidBENZOIC ACID, 2-((PHENYLSULFONYL)AMINO)-2-((Phenylsulfonyl)amino)benzoic acidBRN 2945178Benzoic acid, 2-[(phenylsulfonyl)amino]-DTXSID101883884-14-00-01068 (Beilstein Handbook Reference)RefChem:565381DTXCID40110879874-020-0
Show more names
2-(benzenesulfonamido)benzoic acid2-(Phenylsulfonamido)Benzoic Acid2-Benzenesulfonylamino-benzoic acidMFCD00429933CHEMBL285503Benzoic acid, 2-phenylsulfonylamido-Benzoic acid,2-[(phenylsulfonyl)amino]-TimTec1_007016
Database identifiers
- CAS
34837-67-7- PubChem CID
- 36941
- DTXSID
DTXSID10188388- ChEMBL
CHEMBL285503- EC Number
- 874-020-0
- Nikkaji
- J313.788K
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 409
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- Boiling point
- 478.4 · 478.4±47.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.36(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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
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
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…