Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-
Basic information
- CAS
16803-97-7- Standard SMILES
Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
LWOAIKNLRVQTFT-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-
- IUPAC
- 4-amino-N-(4-aminophenyl)benzenesulfonamide
- English name
- 4,4'-Diaminobenzenesulphanilide
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
16803-97-7Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-DTXSID708849354,4'-DiaminobenzenesulfonanilideRefChem:563762DTXCID201024352EINECS 240-834-44-amino-n-(4-aminophenyl)benzenesulfonamideMFCD000821744-amino-N-(4-aminophenyl)benzene-1-sulfonamide4,4'-DiaminobenzenesulphanilideCambridge id 5401608
Show more names
DASA4,4'-Diaminobenzenes4,4'-Diamino Sulfanilide4,4-Diamino Benzsulphoamide4,4-DIAMINO BENZSULPHONAMIDE4,4-DIAMINOBENZENESULFONAMIDE4,4-Diaminodiphenylsulfonamide4,4'-DIAMINOBENZENSULPHANILIDE4 4-DIAMINO SULFANILIDE (DASA)
Oprea1_213884Oprea1_386092SCHEMBL540915CHEMBL1674114,4'-diaminodiphenyl sulfonamideLWOAIKNLRVQTFT-UHFFFAOYSA-NAKOS003616653SDCCGMLS-0065463.P001
Database identifiers
- CAS
16803-97-7- PubChem CID
- 768320
- DTXSID
DTXSID70884935- ChEMBL
CHEMBL167411- Nikkaji
- J236.855B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 511.3 · 511.3±60.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.18 · 10.18±0.10(Predicted)
- Water Solubility
- 13.41 g/L · 13.41g/L at 25℃
- LogP
- 0.202 · 0.202
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-amino-N-(4-aminophenyl)- (16803-97-7)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 351 b · H351b
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P403-P501c
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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 Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-: 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H351b
- REACH Registrations
- Inactive
- Precautionary statements
- P201-P202-P281-P308+P313-P403-P501c
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-amino-N-(4-aminophenyl)-: ACTIVE
Applications
Uses4,4-Diaminobenzenesulphanilide can be used as macromolecule black hair dye.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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