N,N-Dimethyl-3-nitroaniline

HCID 69269CAS 619-31-8

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)c1cccc([N+](=O)[O-])c1
InChIKey: CJDICMLSLYHRPT-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: N,N-Dimethyl-3-nitroaniline
IUPAC: N,N-dimethyl-3-nitroaniline
English name: N,N-Dimethyl-3-nitroaniline
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

N,N-Dimethyl-3-nitroanilineBenzenamine, N,N-dimethyl-3-nitro-AI3-08873EINECS 210-590-3DTXSID5060699RefChem:161249DTXCID6043171210-590-3CJDICMLSLYHRPT-UHFFFAOYSA-NInChI=1/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H619-31-83-Nitro-N,N-dimethylaniline

Show more names

m-NitroxylidineM-NITRODIMETHYLANILINE3-(Dimethylamino)nitrobenzenen,n-dimethyl-3-nitro-benzenamin

N,N-Dimethyl-m-nitroanilinem-Nitro-N,N-dimethylaniline1-(Dimethylamino)-3-nitrobenzeneAniline, N,N-dimethyl-m-nitro-Benzene, 1-(dimethylamino)-3-nitro-Dimethyl-(3-nitro-phenyl)-amineMFCD00007236NSC 9814

Database identifiers

CAS: 619-31-8
PubChem CID: 69269
DTXSID: DTXSID5060699
ChEMBL: CHEMBL2023697
UNII: 9QFQ32CUQ5
EC Number: 210-590-3
Nikkaji: J95.675I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

LogP2.16

Physicochemical properties

Melting point: 57 · 57-61 °C
Boiling point: 280 °C · 280 °C
Density: 1.313 · 1.3130
refractive index: 1.6343 · 1.6343 (estimate)
solubility: soluble in Dichoromethane
pka: 2.62 · 2.62(at 25℃)
form: Crystals or Crystalline Powder
color: Orange to orange-red
BRN: 1841745 · 1841745
CAS DataBase Reference: 619 · 619-31-8(CAS DataBase Reference)
FDA UNII: 9 QFQ32CUQ5 · 9QFQ32CUQ5
EPA Substance Registry System: -3 · Benzenamine, N,N-dimethyl-3-nitro- (619-31-8)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H302-H312-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a
Hazard Codes: T,Xn
Risk Statements: 36 · 36/37/38-23/24/25
Safety Statements: 45 · 45-36/37/39-26-36/37
RIDADR: 2811 · 2811
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29214990 · 29214990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (88.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 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

tsca: TSCA listed
ridadr: 2811
hs_code: 29214990
risk_code: 36/37/38-23/24/25
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: T,Xn
safety_code: 45-36/37/39-26-36/37
hazard_class: 6.1
packing_group: II
Hazard statements: H302+H312+H332-H315-H319-H302-H312-H331
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a