3,4-Dimethylbenzene-1,2-diamine

HCID 521077

Notes Reactions

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Basic information

CAS: 41927-01-9
Standard SMILES: Cc1ccc(N)c(N)c1C
InChIKey: MHQULXYNBKWNDF-UHFFFAOYSA-N
Molecular formula: C8H12N2
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.10004838

Names & identifiers

Preferred name: 3,4-Dimethylbenzene-1,2-diamine
IUPAC: 3,4-dimethylbenzene-1,2-diamine
English name: 3,4-Dimethyl-o-phenylenediamine
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

41927-01-93,4-dimethylbenzene-1,2-diamineDTXSID50334544RefChem:486350DTXCID60285634678-668-33,4-Dimethyl-o-phenylenediamine2-amino-3,4-dimethylphenylamine1,2-Benzenediamine, 3,4-dimethyl-MFCD000517093,4-Diamino-o-xylene3,4-Dimethyl-1,2-benzenediamine

Show more names

Albb-005871o-Xylene-3,4-diamine1,2-DIAMINO-3,4-DIMETHYLBENZENE

(2-amino-3,4-dimethylphenyl)amine6-Amino-2,3-xylidine3,4-Dimethyl-benzene-1,2-diamine3,4-DimethylphenylenediamineSCHEMBL343645,6-dimethyl phenylenediamineSCHEMBL2172065SCHEMBL29366969

Database identifiers

CAS: 41927-01-9
PubChem CID: 521077
DTXSID: DTXSID50334544
EC Number: 104-245-5、678-668-3
Nikkaji: J89.431A

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: 114

Physicochemical properties

Melting point: 87 · 87-89°C
Boiling point: 278.3 · 278.3±35.0 °C(Predicted)
Density: 1.076 · 1.076±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 4.72 · 4.72±0.10(Predicted)
Appearance: Brown to dark brown Solid
BRN: 2716459 · 2716459
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H319-H331
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 20 · 20/21/22
Safety Statements: 22 · 22-36/37
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2921511990 · 2921511990
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 2811
hs_code: 2921511990
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS06
safety_code: 22-36/37
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H315-H319-H331
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a