Basic information
- CAS
2849-81-2- Standard SMILES
Cc1ccc(S(=O)(O)=NC(C)(C)C)cc1- InChIKey
ZQRLETIQVVJIMC-UHFFFAOYSA-N- Molecular formula
- C11H17NO2S
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.09799996
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(1,1-dimethylethyl)-4-methyl-
- IUPAC
- N-tert-butyl-4-methylbenzenesulfonimidic acid
- English name
- N-tert-Butyl-p-toluenesulfonamide
- Molecular formula
- C11H17NO2S
- Molecular weight
- 227.32
Names & synonyms
p-TOLUENESULFONAMIDE, N-(tert-BUTYL)-NSC 59496BRN 2112472AI3-284684-11-00-00379 (Beilstein Handbook Reference)RefChem:325399Benzenesulfonamide, N-(1,1-dimethylethyl)-4-methyl-(9CI)2849-81-2Benzenesulfonamide, N-(1,1-dimethylethyl)-4-methyl-N-tert-butyl-4-methylbenzenesulfonimidic acidRARECHEM AM UH V184N-t-butyl-p-toluenesulfonamide
Show more names
N-tert-Butyl-p-toluenesulfonamiden-(tert-butyl)-p-toluenesulfonamidN-tert-Butyl-4-methylbenzenesulfonamideN-tert-Butyl-4-methylbenzenesulfonamide,97%n-(1,1-dimethylethyl)-4-methyl-benzenesulfonamidN-(1,1-Dimethylethyl)-4-methylbenzenesulfonamide
Database identifiers
- CAS
2849-81-2- PubChem CID
- 17844
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 112 · 112-113 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 327.7 · 327.7±35.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- RTECS
- 5610000 · XT5610000
- pka
- 12.24 · 12.24±0.50(Predicted)
- Water Solubility
- Soluble in water.
- FDA UNII
- 532 A5GZ · YHF532A5GZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…