Basic information
- CAS
126146-01-8- Standard SMILES
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1- InChIKey
MGFQTAXIYWVXQN-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217913
Names & identifiers
- Preferred name
- 4-(2,5-Dimethyl-benzenesulfonylamino)-benzoic acid
- IUPAC
- 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid
- English name
- 4-(2,5-DIMETHYL-BENZENESULFONYLAMINO)-BENZOIC ACID
- Molecular formula
- C15H15NO4S
- Molecular weight
- 305.35
Names & synonyms
126146-01-84-(2,5-Dimethyl-benzenesulfonylamino)-benzoic acid4-((2,5-dimethylphenyl)sulfonamido)benzoic acid4-(2,5-dimethylphenylsulfonamido)benzoic acid4-(2,5-dimethylbenzenesulfonamido)benzoic acid4-[(2,5-dimethylphenyl)sulfonylamino]benzoic AcidMFCD02706676Benzoic acid, 4-[[(2,5-dimethylphenyl)sulfonyl]amino]-4-{[(2,5-dimethylphenyl)sulfonyl]amino}benzoic acid4-([(2,5-DIMETHYLPHENYL)SULFONYL]AMINO)BENZOIC ACIDBenzoic acid,4-[[(2,5-dimethylphenyl)sulfonyl]amino]-4-(2,5-dimethylphenylsulfonylamino)benzoic acid
Show more names
4-(2,5-DdiMethylphenylsulfonaMido)benzoic acid4-(2,5-Dimethylphenylsulfonylamino)benzoicacid,96%
Oprea1_037409Oprea1_546916F1565-0039DTXSID20359648SBB082040AKOS000114752SB83064AS-69757
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Melting point
- 226 · 226-227℃
- Boiling point
- 513.2 · 513.2±60.0 °C(Predicted)
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.08 · 4.08±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 126146 · 126146-01-8
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers10 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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