2,4-Dimethyl-5-nitroaniline

HCID 228007

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Basic information

CAS: 2124-47-2
Standard SMILES: Cc1cc(C)c([N+](=O)[O-])cc1N
InChIKey: DUIOVGPUAJSYCD-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: 2,4-Dimethyl-5-nitroaniline
IUPAC: 2,4-dimethyl-5-nitroaniline
English name: 2,4-DIMETHYL-5-NITROANILINE
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

2,4-Dimethyl-5-nitroanilineDTXSID00281150RefChem:443751DTXCID00232304668-703-02124-47-25-nitro-2,4-xylidineMFCD00025199Benzenamine, 2,4-dimethyl-5-nitro-(2,4-DIMETHYL-5-NITROPHENYL)AMINEAKOS000266063CS-W017863

Show more names

5-nitro-2,4-dimethylaniline2,4-Dimethyl-5-nitro-anilin(2,4-dimethyl-5-nitrophenyl)am5-Amino-2,4-dimethylnitrobenzene4-Amino-1,3-dimethyl-6-nitrobenzene

AE-562/43099671Z567852692,4-dimethyl-5-nitrobenzenamine2,4-Dimethyl-5-nitro-anilineNSC20551AM84078A4593FT-0651191

Database identifiers

CAS: 2124-47-2
PubChem CID: 228007
DTXSID: DTXSID00281150
EC Number: 668-703-0
Nikkaji: J141.318J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 122 to · 122.0 to 126.0 °C
Boiling point: 329.4 · 329.4±37.0 °C(Predicted)
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 2.83 · 2.83±0.10(Predicted)
color: Light yellow to Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Applications

Uses2,4-Dimethyl-5-nitroaniline is a reagent that is used in the synthesis of symmetric dinitro/tetranitro-functionalized Troger''s bases via heterocyclization of nitroanilines/dinitroanilines with diglycolic acid or paraformaldehyde.