CAS 6853-29-8 2-Ethyl-4-nitroaniline (HCID 14819009)

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Basic information

CAS: 6853-29-8
Standard SMILES: CCc1cc([N+](=O)[O-])ccc1N
InChIKey: DCOPKZQDPBRDJY-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422757

Names & identifiers

Preferred name: 2-Ethyl-4-nitroaniline
IUPAC: 2-ethyl-4-nitroaniline
English name: Benzenamine, 2-ethyl-4-nitro-
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

2-ethyl-4-nitroaniline6853-29-8DTXSID80564392RefChem:260586DTXCID40515168Benzenamine, 2-ethyl-4-nitro-MFCD259661632-Ethyl-4-nitrobenzenamine2-ethyl-4-nitro-anilineSCHEMBL460989Benzenamine, 2-ethyl-4-nitroSCHEMBL10889677

Show more names

4-Amino-3-Ethyl-1-Nitrobenzene

SCHEMBL10889681DCOPKZQDPBRDJY-UHFFFAOYSA-NAKOS025130408SY472414DB-203350CS-0312404

Database identifiers

CAS: 6853-29-8
PubChem CID: 14819009
DTXSID: DTXSID80564392
Nikkaji: J2.274.853J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 85 · 85-87 °C
Boiling point: 345.2 · 345.2±22.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
pka: 0.83 · 0.83±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338