Basic information
- CAS
4703-16-6- Standard SMILES
CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)cc1- InChIKey
CAXHZJKUHBMSPS-UHFFFAOYSA-N- Molecular formula
- C17H21NO2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12929991
Names & identifiers
- Preferred name
- 2',6'-Diethyl-p-toluenesulfonanilide
- IUPAC
- N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
- English name
- N-(2,6-Diethylphenyl)-4-MethylbenzenesulfonaMide, 97%
- Molecular formula
- C17H21NO2S
- Molecular weight
- 303.42
Names & synonyms
n-(2,6-diethylphenyl)-4-methylbenzenesulfonamide2',6'-Diethyl-p-toluenesulfonanilidep-Toluenesulfonanilide, 2',6'-diethyl-RefChem:439495665-918-14703-16-6Cambridge id 7198048Oprea1_775231N-(2,6-diethylphenyl)-4-methylbenzene-1-sulfonamideSCHEMBL9616536DTXSID40963726CAXHZJKUHBMSPS-UHFFFAOYSA-N
Show more names
2,6-Diethylphenyl toluenesulfonamideBenzenesulfonamide, N-(2,6-diethylphenyl)-4-methyl-N-(2,6-Diethylphenyl)-4-MethylbenzenesulfonaMide, 97%
MFCD00026955AKOS002248591N-(2,6-diethylphenyl)-p-toluenesulfonamideST50550605H82183(2,6-diethylphenyl)[(4-methylphenyl)sulfonyl]amine
Database identifiers
- CAS
4703-16-6- PubChem CID
- 731535
- DTXSID
DTXSID40963726- EC Number
- 665-918-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 132 · 132-133 °C(Solv: benzene (71-43-2))
- Boiling point
- 433 · 433.0±55.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
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]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
6 records
Compound notes
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