4,4'-Diaminodiphenylamine sulfate
Basic information
- CAS
53760-27-3- Standard SMILES
Nc1ccc(Nc2ccc(N)cc2)cc1.O=S(=O)(O)O- InChIKey
OOZQLPDAELLDNY-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.07832714
Names & identifiers
- Preferred name
- 4,4'-Diaminodiphenylamine sulfate
- IUPAC
- 4-N-(4-aminophenyl)benzene-1,4-diamine;sulfuric acid
- English name
- 4,4′-Diaminodiphenylamine sulfate salt
- Molecular formula
- C12H13N3.H2SO4
- Molecular weight
- 297.32
Names & synonyms
53760-27-34,4'-Diaminodiphenylamine SulfateEINECS 258-748-0UNII-02X5LJD26T02X5LJD26T4,4'-diaminodiphenylamine monosulfateDTXSID502020371,4-Benzenediamine, N-(4-aminophenyl)-, sulfate (1:1)P,P'-DIAMINODIPHENYLAMINE SULFATE1,4-BENZENEDIAMINE, N1-(4-AMINOPHENYL)-, SULFATE (1:1)RefChem:96229DTXCID50124528
Show more names
N1-(4-aminophenyl)benzene-1,4-diamineFast Black B BaseN1-(4-Aminophenyl)4,4'-Dianilinesulfate4,4'-Diamino dianiline4,4-DiaminodiphenylamineAzoic Diazo Component 1094,4-DIAMINODIPHENYL SULFATE4,4'-iminodianiline sulfate4,4'-IMINODIANILINE SULPHATE
4,4'-DIAMINODIPHENYLAMINE SULFATE [INCI]258-748-0N1-(4-Aminophenyl)benzene-1,4-diamine sulfateMFCD000131134.4/'-Diaminodiphenylaminesulfate4.4'-DIAMINODIPHENYLAMINESULFATE4-N-(4-aminophenyl)benzene-1,4-diamine;sulfuric acidN1-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate; p,p'-Diaminodiphenylamine Sulfate Hydrate; N-(4-Aminophenyl)-1,4-benzenediamine Sulfate Hydrate;
Database identifiers
- CAS
53760-27-3- PubChem CID
- 104599
- DTXSID
DTXSID50202037- UNII
- 02X5LJD26T
- EC Number
- 258-748-0
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 300 · 300
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO
- form
- Solid
- color
- Off-White
- InChI
- InChI=1S/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)
- InChIKey
- OOZQLPDAELLDNY-UHFFFAOYSA-N
- SMILES
- S(O)(=O)(=O)O.C1(C=CC(N)=CC=1)NC1=CC=C(N)C=C1
- CAS DataBase Reference
- 53760 · 53760-27-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 2 X5LJD26T · 02X5LJD26T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2921199990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302+H312+H332-H315-H319
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses4,4'-Diaminodiphenylamine Sulfate Hydrate is a compound used in anti-corrosive coating material for the prevention of corrosion in metals.
Preparation methods
PreparationBis(4-nitrophenyl)amine reduction.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…