Basic information
- CAS
121-58-4- Standard SMILES
CN(C)c1ccc(S(=O)(=O)O)cc1- InChIKey
KZVBBVPCVQEVQK-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596439
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(dimethylamino)-
- IUPAC
- 4-(dimethylamino)benzenesulfonic acid
- English name
- 4-(dimethylamino)benzenesulphonic acid
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
Benzenesulfonic acid, 4-(dimethylamino)-Sulfanilic acid, N,N-dimethyl-AI3-17668NSC 3540EINECS 204-483-0RefChem:564476Sulfanilic acid, N,N-dimethyl-(8CI)4-(dimethylamino)benzenesulfonic acid121-58-4N,N-Dimethylsulfanilic acidMFCD202698704-(Dimethylamino)benzenesulphonic acid
Show more names
Benzenesulfonic Acid Impurity 11N,N-Dimethylaniline-p-sulfonic acidp-dimethylaminobenzenesulfonic acid4-(dimethylamino)benzenesulfonicaci4-(dimethylamino)benzenesulphonic acid ISO 9001：2015 REACH
Benzenesulfonic acid,4-(dimethylamino)-4-(dimethylamino)benzene-1-sulfonic acidNSC-35404-Dimethylamino-benzenesulfonic acidN,N-Dimethyl-sulfanilsaeure4-(Dimethylamino)benzenesulfonicacidp-(Dimethylamino)benzenesulfonic acidDimethyl-sulfanilsaure
Database identifiers
- CAS
121-58-4- PubChem CID
- 67140
- DTXSID
DTXSID1059529
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 270.5 °C · 270.5°C
- Density
- 1.3156 · 1.3156 (rough estimate)
- refractive index
- 1.5364 · 1.5364 (estimate)
- storage temp.
- Store at room temperature
- pka
- -1.15 · -1.15±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)
- InChIKey
- KZVBBVPCVQEVQK-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC=C(N(C)C)C=C1
- FDA UNII
- 8 J8F96QB · CG8J8F96QB
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-(dimethylamino)- (121-58-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenesulfonic acid, 4-(dimethylamino)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-(dimethylamino)-: INACTIVE
Applications
UsesN,N-Dimethylsulfanilic Acid, is a benzoic acid derivative acting as a weak yeast sirtuin inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers40 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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