4-Ethyl-2-nitroaniline

HCID 251674CAS 3663-35-2

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Basic information

Standard SMILES: CCc1ccc(N)c([N+](=O)[O-])c1
InChIKey: RUQAPQLDPWSAQM-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422757

Names & identifiers

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

Names & synonyms

4-ethyl-2-nitroaniline3663-35-24-ETHYL-2-NITRO-ANILINE4-ethyl-2-nitrobenzenamineMFCD00034069NSC 723252-nitro-4-ethylanilineNSC72325SCHEMBL1069671SCHEMBL16655546DTXSID30290997RUQAPQLDPWSAQM-UHFFFAOYSA-N

Show more names

Benzenamine, 4-ethyl-2-nitro-

NSC-72325AKOS005263755BS-53323DB-340262CS-0168188E82102F693520

Database identifiers

CAS: 3663-35-2
PubChem CID: 251674
DTXSID: DTXSID30290997
Nikkaji: J2.685.828C

Properties

Computed structural properties

XLogP: 2.4
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: 45 · 45-47 °C
Boiling point: 126 · 126-130 °C(Press: 0.4 Torr)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 0.45 · 0.45±0.10(Predicted)
Appearance: Brown to black Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405