Benzenesulfonic acid, 5-amino-2-((4-aminophenyl)amino)-
Basic information
- CAS
119-70-0- Standard SMILES
Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1- InChIKey
VKURVCNKVWKGLX-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3S
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 279.06776246
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-amino-2-((4-aminophenyl)amino)-
- IUPAC
- 5-amino-2-(4-aminoanilino)benzenesulfonic acid
- English name
- 5-Amino-2-[(4-aminophenyl)amino]benzenesulfonic acid
- Molecular formula
- C12H13N3O3S
- Molecular weight
- 279.31
Names & synonyms
5-Amino-2-((4-aminophenyl)amino)benzenesulfonic acid5-Amino-2-[(4-aminophenyl)amino]benzenesulfonic acidBenzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-6-(p-Aminoanilino)metanilic acid4-(p-Aminoanilino)-3-sulfoaniline4,4'-Diaminodiphenylamine-2'-sulfonic acid5-Amino-2-(p-aminoanilino)benzenesulfonic acidNSC 4706Diphenylamine-2-sulfonic acid, 4,4'-diamino-EINECS 204-344-45-Amino-2-(p-aminoanilino)benzenesulphonic acidBenzenesulfonic acid, 5-amino-2-(p-aminoanilino)-
Show more names
FC ACIDTIMTEC-BB SBB001129Benzenesulfonic acid, 5-amin4,4'-diamino-2-sulfodiphenylamine4,4-DIAMINO DIPHENYL-2-SULPHONIC ACID4,4'-diamino diphenyl-2-sulfonic acid4,4'-DIAMINODIPHENYLAMINE-2-SULFONIC ACID
AI3-23227Benzenesulfonic acid, 5-amino-2-((4-aminophenyl)amino)-EC 204-344-4RefChem:5647014(pAminoanilino)3sulfoaniline6(pAminoanilino)metanilic acid4,4'Diamino2sulfodiphenylamine4,4'Diaminodiphenylamine2'sulfonic acid
Database identifiers
- CAS
119-70-0、97675-30-4- PubChem CID
- 67070
- DTXSID
DTXSID1059492- ChEMBL
CHEMBL560968- UNII
- 7B2AG5D9PQ
- EC Number
- 204-344-4、307-600-4
- Nikkaji
- J64.444G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
PolymersNitrogen Compounds -> Amines, Polyaromatic
Physical DescriptionPurple solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 244 °C · 244 °C(lit.)
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Solid
- pka
- -1.24 · -1.24±0.50(Predicted)
- InChIKey
- VKURVCNKVWKGLX-UHFFFAOYSA-N
- Dissociation constant
- 0 at · 0 at 33℃
- CAS DataBase Reference
- 119 · 119-70-0(CAS DataBase Reference)
- FDA UNII
- 7 B2AG5D9PQ · 7B2AG5D9PQ
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]- (119-70-0)
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 98.5% (128 of 130) of all reports.
Not Classified
Aggregated GHS information provided per 130 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 5-amino-2-(p-aminoanilino)benzenesulphonic acid (EC: 204-344-4)
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Diphenylamine and 4-Aminodiphenylamine. See C.I. Acid Orange 3.
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationBenzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-: ACTIVE
Applications
Uses5-Amino-2-[(4-aminophenyl)amino]benzenesulfonic acid is used as an intermediate of organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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