2,3,5,6-Tetramethyl-1,4-phenylenediamine

HCID 76548CAS 3102-87-2

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1c(C)c(N)c(C)c(C)c1N
InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYSA-N
Molecular formula: C10H16N2
Average molar mass: 164.25 g/mol
Monoisotopic mass: 164.13134851

Overview

structure

Names & identifiers

Preferred name: 2,3,5,6-Tetramethyl-1,4-phenylenediamine
IUPAC: 2,3,5,6-tetramethylbenzene-1,4-diamine
English name: 2,3,5,6-TETRAMETHYL-1,4-PHENYLENEDIAMINE
Molecular formula: C10H16N2
Molecular weight: 164.25

Names & synonyms

3102-87-22,3,5,6-Tetramethyl-1,4-phenylenediamineDiaminodurene8875RHZ1MMRefChem:4166492,3,5,6-tetramethylbenzene-1,4-diamine3,6-Diaminodurene1,4-Benzenediamine, 2,3,5,6-tetramethyl-2,3,5,6-Tetramethyl-p-phenylenediamineMFCD000079052,3,5,6-Tetramethyl-1,4-benzenediamineUNII-8875RHZ1MM

Show more names

TMPDDURENE DIAMINETetramethyl-1,4-phenylenediamine4MPDA-1,4-phenyLDiaminodurol

4-Amino-2,3,5,6-tetramethylanilineNSC 158251CCRIS 8123BIDD:GT0490SCHEMBL2633641,4-diamino-2,3,5,6-tetramethylbenzeneNSC-1582512,3,5,6-Tetramethyl-para-phenylenediamine

Database identifiers

CAS: 3102-87-2、76411-92-2
PubChem CID: 76548
DTXSID: DTXSID10953139
UNII: 8875RHZ1MM
EC Number: 221-457-4
Nikkaji: J184.192K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 150 · 150-155 °C(lit.)
Boiling point: 281.73 °C · 281.73°C (rough estimate)
Density: 1.0244 · 1.0244 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 6.11 · 6.11±0.10(Predicted)
color: White to Light yellow
BRN: 2208743 · 2208743
InChI: InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3
InChIKey: WCZNKVPCIFMXEQ-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C(C)=C(N)C(C)=C1C
CAS DataBase Reference: 3102 · 3102-87-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8875 RHZ1MM · 8875RHZ1MM
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-40
Safety Statements: 26 · 26-36-22
WGK Germany: 3 · 3
RTECS: 1599700 · CZ1599700
HS Code: 29215190 · 29215190
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 Information1,4-Benzenediamine, 2,3,5,6-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: CZ1599700
hs_code: 29215190
risk_code: 36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-22
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,3,5,6-Tetramethyl-1,4-phenylenediaminev is used in the preparation of polyimide coatings for electronic applications-IC passivation, dielectric for multichip modules, and as a stress relief layer in sensor applications.