N-Phenyl-p-Phenylenediamine Sulfate
Basic information
- CAS
4698-29-7- Standard SMILES
Nc1ccc(Nc2ccccc2)cc1.Nc1ccc(Nc2ccccc2)cc1.O=S(=O)(O)O- InChIKey
ZRFXOEFNFAPWJA-UHFFFAOYSA-N- Molecular formula
- C24H26N4O4S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.1674765
Overview
On the basis of the data included in this report, the CIR Expert Panel concludes that ... N-Phenyl-p-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations up to 1.7% (as the free base).
Names & identifiers
- Preferred name
- N-Phenyl-p-Phenylenediamine Sulfate
- IUPAC
- bis(4-N-phenylbenzene-1,4-diamine);sulfuric acid
- English name
- 4-Aminodiphenylamino sulfate
- Molecular formula
- C12H14N2O4S
- Molecular weight
- 282.31
Names & synonyms
4698-29-7N-Phenyl-p-phenylenediamine sulfatep-Aminodiphenylamine sulfate1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)RODOL GRAY BSCOLOREX 4ADSM53XF75F63N-Phenyl-1,4-benzenediamine sulfate1,4-Benzenediamine, N-phenyl-, sulfate (2:1)DTXSID20884102EINECS 225-173-1Bis(N-phenylbenzene-p-diamine) sulphate
Show more names
RT BASE SULFATERT-BASE SULFATE SALT5-chloro-1-benzopyran-2-one4-AMINODIPHENYLAMINE SULFATE4-aminodiphenylamino sulfateN1-Phenylbenzene-1,4-diaMine sulfate
N-Phenyl-p-phenylenediamine, hemisulfateBIS(N-PHENYLBENZENE-P-DIAMINE) SULPHATE (CI 76085)RefChem:830974DTXCID001023572N-PHENYL-P-PHENYLENEDIAMINE SULFATE [INCI]4-N-phenylbenzene-1,4-diamine;sulfuric acidbis(N1-phenylbenzene-1,4-diamine); sulfuric acidUNII-M53XF75F63
Database identifiers
- CAS
4698-29-7
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (N-Phenyl-p-Phenylenediamine Sulfate) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 4 · 4-Aminodiphenylamino sulfate (4698-29-7)
- LogP
- 1.287 · 1.287 (est)
- CAS DataBase Reference
- 4698 · 4698-29-7(CAS DataBase Reference)
- FDA UNII
- 53 XF75F63 · M53XF75F63
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N-phenyl-, sulfate (2:1) (4698-29-7)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302-H319-H317
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
This chemical does not meet GHS hazard criteria for 2.8% (1 of 36) of reports.
Danger
H301 (22.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 36 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (22.2%)
Toxicology
Toxicity Summary
On the basis of the data included in this report, the CIR Expert Panel concludes that ... N-Phenyl-p-Phenylenediamine Sulfate are safe for use in hair dyes at concentrations up to 1.7% (as the free base).
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H302-H319-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: N-Phenyl-p-Phenylenediamine Sulfate
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,4-Benzenediamine, N1-phenyl-, sulfate (2:1): ACTIVE
Applications
Uses4-Aminodiphenylamino sulfate is used as an intermediate in hair dyeing.
Suppliers
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Related reactions
0 records
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Compound notes
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