p-Aminodiphenylamine HCl
Basic information
- CAS
2198-59-6- Standard SMILES
Cl.Nc1ccc(Nc2ccccc2)cc1- InChIKey
PNEVDCGZQWFIKV-UHFFFAOYSA-N- Molecular formula
- C12H12N2.ClH
- Average molar mass
- 220.7 g/mol
- Monoisotopic mass
- 220.0767261
Overview
On the basis of the data included in this report, the CIR Expert Panel concludes that ... N-Phenyl-p-Phenylenediamine Hydrochloride... safe for use in hair dyes at concentrations up to 1.7% (as the free base).
Names & identifiers
- Preferred name
- p-Aminodiphenylamine HCl
- IUPAC
- 4-N-phenylbenzene-1,4-diamine;hydrochloride
- English name
- 4-Aminodiphenylamine hydrochloride
- Molecular formula
- C12H13ClN2
- Molecular weight
- 220.7
Names & synonyms
4-Aminodiphenylamine hydrochloride1,4-Benzenediamine, N-phenyl-, monohydrochlorideEucanine Grey BZoba Grey BRN-Phenyl-p-phenylenediamine hydrochlorideFourrine Grey Bp-Aminodiphenylamine HClDurafur Grey BNFouramine Grey AFutramine Grey BFurro Grey BNako Grey GB
Show more names
ci76086fourrine96zobagreybrnakogreygbfurrogreybfourrinegreybdurafurgreybneucaninegreybfutraminegreybbasfursolgreyb
Fourrine 96C.I. Oxidation Base 2ABasf Ursol Grey BFouramine Grey AERN-Phenyl-p-phenylenediamine HClp-Phenylenediamine, N-phenyl-, hydrochlorideCI 76086p-Aminodiphenylamine hydrochloride
Database identifiers
- CAS
2198-59-6、56426-15-4- PubChem CID
- 75146
- DTXSID
DTXSID9021132- ChEMBL
CHEMBL3186715
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (N-Phenyl-p-Phenylenediamine HCl) -> CIR (Cosmetic Ingredient Review)
Cosmetic ingredients (N-Phenyl-p-Phenylenediamine Hydrochloride) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Melting point
- 241 °C · 241°C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Water (Slightly, Heated, Sonicated)
- form
- Solid
- color
- Green to Very Dark Blue
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 4 · 4-AMINODIPHENYLAMINE HYDROCHLORIDE (2198-59-6)
- LogP
- 1.287 · 1.287 (est)
- EWG's Food Scores
- 3 · 3-6
- FDA UNII
- 2 TS7135LI6 · 2TS7135LI6
- EPA Substance Registry System
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediamine, N-phenyl-, monohydrochloride
1,4-Benzenediamine, N-phenyl-, monohydrochloride: 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.
4-Aminodiphenylamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,4-Benzenediamine, N-phenyl and a salt: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Sens. 1 (100%)
Acute toxicity - category 4
Toxicology
Toxicity Summary
On the basis of the data included in this report, the CIR Expert Panel concludes that ... N-Phenyl-p-Phenylenediamine Hydrochloride... safe for use in hair dyes at concentrations up to 1.7% (as the free base).
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: N-Phenyl-p-Phenylenediamine HCl
CIR ingredient: N-Phenyl-p-Phenylenediamine Hydrochloride
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,4-Benzenediamine, N1-phenyl-, hydrochloride (1:1): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…