Diphenylamine-4-sulfonic acid
Basic information
- CAS
101-57-5- Standard SMILES
O=S(=O)(O)c1ccc(Nc2ccccc2)cc1- InChIKey
HYKDWGUFDOYDGV-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Overview
used to make single crystal silver nanowires; structure in first source
Names & identifiers
- Preferred name
- Diphenylamine-4-sulfonic acid
- IUPAC
- 4-anilinobenzenesulfonic acid
- English name
- DIPHENYLAMINE SULFONIC ACID
- Molecular formula
- C12H11NO3S
- Molecular weight
- 249.29
Names & synonyms
101-57-54-SulfodiphenylamineBenzenesulfonic acid, 4-(phenylamino)-Diphenylamine-4-sulfonic acidSulfodiphenylaminep-Anilinobenzenesulfonic acidN-Phenylsulfanilic acidDiphenylaminosulfonic acid6E5XPH8BY9NSC-73722DTXSID1059234NSC-163911
Show more names
n-phenylsulfanilicacid4-Sulfophenylphenylamine4-anilinobenzenesulfonicaciDiphenylamine-4-sulfonicacidp-anilinobenzenesulphonic acid4-(phenylamino)-benzenesulfonicaci
RefChem:831012DTXCID9032583202-955-04-Anilinobenzenesulfonic acidDiphenylamine Sulfonic Acid4-(phenylamino)benzenesulfonic acid4-Diphenylaminesulfonic acidBenzenesulfonic acid, p-anilino-
Database identifiers
- CAS
101-57-5- PubChem CID
- 66866
- DTXSID
DTXSID1059234- UNII
- 6E5XPH8BY9
- EC Number
- 202-955-0
- Nikkaji
- J182.144J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionSolid; Turns blue on light exposure; [Merck Index]
Physicochemical properties
- Melting point
- 206 °C · 206°C
- Density
- 1.3164 · 1.3164 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -1.33 · -1.33±0.50(Predicted)
- CAS DataBase Reference
- 101 · 101-57-5
- FDA UNII
- 6 E5XPH8BY9 · 6E5XPH8BY9
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-(phenylamino)- (101-57-5)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302
- Precautionary statements
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
This chemical does not meet GHS hazard criteria for 98.1% (2008 of 2047) of all reports.
Not Classified
Aggregated GHS information provided per 2047 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-(phenylamino)-
Benzenesulfonic acid, 4-(phenylamino)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Diphenylamine. See N-Phenylsulfanilic acid, sodium salt.
Hazard Classes and CategoriesNot Classified
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
UsesUsed in the colorimetric determination of nitrates, as an oxidation-reduction indicator, and for the detection of oxidizing materials; [Merck Index]
General Manufacturing InformationBenzenesulfonic acid, 4-(phenylamino)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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