2,4-Diaminodiphenylamine

HCID 8683CAS 136-17-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(Nc2ccccc2)c(N)c1
InChIKey
VOSLIUIVGWBSOK-UHFFFAOYSA-N
Molecular formula
C12H13N3
Average molar mass
199.25 g/mol
Monoisotopic mass
199.11094742

Names & identifiers

Preferred name
2,4-Diaminodiphenylamine
IUPAC
1-N-phenylbenzene-1,2,4-triamine
English name
2,4-Diaminodiphenylamine
Molecular formula
C12H13N3
Molecular weight
199.25

Names & synonyms

2,4-Diaminodiphenylamine1,2,4-Benzenetriamine, N'-phenyl-BRN 196438345DN363J8CAI3-08901NSC 401132NSC-401132UNII-45DN363J8CNSC-60921,2,4-Benzenetriamine, N1-phenyl-DTXSID101596193-13-00-00552 (Beilstein Handbook Reference)
Show more names
2,4-Diaminodiphenylamine >N-Phenyl-1,2,4-benzenetriamineN'-Phenyl-1,2,4-benzenetriamineN1-phenylbenzene-1,2,4-triamine1-N-phenylbenzene-1,2,4-triamine(2,4-diaminophenyl)-phenyl-amine4-Phenylaminobenzene-1,3-diamine2,4-Diaminodiphenylamine, ≥ 98.0%
RefChem:82277DTXCID90821102,4-DIAMINODIPHENYLAMINE [INCI]1,2,4-Benzenetriamine, N1-phenyl-(8CI)1,2,4-Benzenetriamine, N1-phenyl-(8CI)(9CI)680-434-0VOSLIUIVGWBSOK-UHFFFAOYSA-N136-17-4

Database identifiers

CAS
136-17-4
PubChem CID
8683
DTXSID
DTXSID10159619
ChEMBL
CHEMBL1241074
UNII
45DN363J8C
EC Number
680-434-0
Nikkaji
J5.618I

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
64.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

CosmeticsHair dyeing

Physicochemical properties

Melting point
129 · 129-131°C
Boiling point
389.1 · 389.1±27.0 °C(Predicted)
Density
1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
5.19 · 5.19±0.10(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (88.6%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)

Safety data

rtecs
DC1954000
ridadr
UN2811
hs_code
2921.59.8090
Toxicity
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07784,
risk_code
33
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Hair dyeing

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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