N,N-dimethyl-m-phenylenediamine

HCID 76084

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Basic information

CAS: 2836-04-6
Standard SMILES: CN(C)c1cccc(N)c1
InChIKey: HHSBHVJQXZLIRW-UHFFFAOYSA-N
Molecular formula: C8H12N2
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.10004838

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: N,N-dimethyl-m-phenylenediamine
IUPAC: 3-N,3-N-dimethylbenzene-1,3-diamine
English name: N,N-dimethyl-m-phenylenediamine
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

2836-04-6N,N-Dimethyl-m-phenylenediamineN,N-Dimethylbenzene-1,3-diamineN,N-Dimethyl-1,3-phenylenediamineN,N-Dimethyl-3-phenylenediamineDMMPDARefChem:161250N,N-dimethyl-meta-phenylenediamine220-623-3N1,N1-Dimethylbenzene-1,3-diamine1,3-Benzenediamine, N,N-dimethyl-MFCD00040473

Show more names

m-Aminodimethylaniline3-Amino-N,N-dimethylanilineN-dimethyl-m-phenylenediamineN,N-DIMETHYL-1,3-BENZENEDIAMINE)N,N-DIMETHYLMETA-PHENYLENEDIAMINE1,3-Benzenediamine, N1,N1-dimethyl-

3-N,3-N-dimethylbenzene-1,3-diaminen1,n1-dimethyl-1,3-benzenediamine3-(n,n-dimethylamino)anilineN3,N3-dimethylbenzene-1,3-diamine3-dimethylaminoaniline3-(dimethylamino)anilinem-amino-N,N-dimethylanilineSCHEMBL374790

Database identifiers

CAS: 2836-04-6
PubChem CID: 76084
DTXSID: DTXSID2062664
EC Number: 220-623-3
Nikkaji: J95.382B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -20 °C · <-20 °C
Boiling point: 240.49 °C · 240.49°C (rough estimate)
Density: 0.995 · 0.9950
refractive index: 1.5914 · 1.5914 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
pka: 5.11 · 5.11±0.10(Predicted)
Appearance: Brown to black Liquid
EPA Substance Registry System: 1 · 1,3-Benzenediamine, N,N-dimethyl- (2836-04-6)
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 311 · H311+H331-H302-H318-H361-H373-H317
Precautionary statements: 501 · P501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405
Risk Statements: 25 · 25-36/37/38-43
Safety Statements: 36 · 36/37/39-45
RIDADR: 2810 · 2810
TSCA: TSCA listed
HS Code: 29215900 · 29215900

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Hazard information

Hazard Classes and Categories · 3 items

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

Safety data

tsca: TSCA listed
ridadr: 2810
hs_code: 29215900
risk_code: 25-36/37/38-43
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
safety_code: 36/37/39-45
Hazard statements: H311+H331-H302-H318-H361-H373-H317
Precautionary statements: P501-P273-P272-P260-P270-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338+P310-P403+P233-P405