2,5-Dimethyl-p-phenylenediamine (HCID 160824)

Overview

2,5-dimethyl-p-phenylenediamine is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.

Names & identifiers

Preferred name: 2,5-Dimethyl-p-phenylenediamine
IUPAC: 2,5-dimethylbenzene-1,4-diamine
English name: 2,5-Dimethyl-1,4-benzenediamine
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

6393-01-72,5-Dimethylbenzene-1,4-diamine2,5-Dimethyl-1,4-benzenediamine2,5-DIMETHYL-P-PHENYLENEDIAMINE4-Amino-2,5-dimethylanilineCCRIS 81182,5-dimethylphenylene-1,4-diamineRE400VN2B4CHEBI:536131,4-dimethylphenylene-2,5-diamineEINECS 229-003-7DTXSID10213725

Show more names

0/7/93AURORA KA-65691,4-DIAMINO-2,5-XYLENE2,5-Dimethylbenzol-1,4-diamin

2,5-dimethyl-para-phenylenediamineAMINO-2,5-DIMETHYLANILINE, 4-RefChem:444561DTXCID401362162,5-Dimethyl-1,4-phenylenediamineMFCD000526752,5-dimethyl-1,4-benzoquinonediamine2,5-Diamino-p-xylene

Database identifiers

CAS: 6393-01-7
PubChem CID: 160824
DTXSID: DTXSID10213725
ChEMBL: CHEMBL1795410
ChEBI: CHEBI:53613
UNII: RE400VN2B4
EC Number: 229-003-7
Nikkaji: J81.211K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 99.8

Physicochemical properties

Melting point: 149 · 149-150 °C (lit.)
Boiling point: 281.1 · 281.1±35.0 °C(Predicted)
Density: 1.076 · 1.076±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), DMSO (Slightly)
form: Solid
pka: 6.14 · 6.14±0.10(Predicted)
color: Brown to Dark Beige
InChI: InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChIKey: BWAPJIHJXDYDPW-UHFFFAOYSA-N
SMILES: C1(N)=CC(C)=C(N)C=C1C
CAS DataBase Reference: 6393 · 6393-01-7(CAS DataBase Reference)
FDA UNII: 400 VN2B4 · RE400VN2B4
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39-36/37/39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
HS Code: 29215900 · 29215900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22978

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 2811
hs_code: 29215900
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-37/39-36/37/39
hazard_class: 6.1(a)
Storage Class: 11 - Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses2,5-Dimethyl-1,4-phenylenediamine (cas# 6393-01-7) is a useful reagent for synthesis of novel Schiff-base type conjugative polymers.

Upstream & downstream products

Downstream products

pentasodium 3-[[4-[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethylphenyl]azo]-2,5-disulphonatophenyl]azo]-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: A primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine.