Benzenamine, 4-chloro-N-ethyl-2-nitro-

HCID 97006CAS 28491-95-4

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Basic information

Standard SMILES: CCNc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: PVIUZYZWJNQCIR-UHFFFAOYSA-N
Molecular formula: C8H9ClN2O2
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.03525521

Names & identifiers

Preferred name: Benzenamine, 4-chloro-N-ethyl-2-nitro-
IUPAC: 4-chloro-N-ethyl-2-nitroaniline
English name: N-Ethyl 4-chloro-2-nitroaniline
Molecular formula: C8H9ClN2O2
Molecular weight: 200.62

Names & synonyms

28491-95-4Benzenamine, 4-chloro-N-ethyl-2-nitro-Aniline, 4-chloro-N-ethyl-2-nitro-EINECS 249-055-4NSC 96625DTXSID5067392RefChem:561883DTXCID90378284-Chloro-N-ethyl-2-nitroanilineN-ETHYL 4-CHLORO-2-NITROANILINEn-ethyl-4-chloro-2-nitroanilineMFCD00024323

Show more names

BUTTPARK 45\09-54N1-ethyl-4-chloro-2-nitroaniline

N-ethyl-4-chloro-2-nitro-anilineNSC96625Benzenamine,4-chloro-N-ethyl-2-nitro-Maybridge1_008530Cambridge id 5160039SCHEMBL5149985HMS565L164-chloro-N-ethyl-2-nitro-aniline

Database identifiers

CAS: 28491-95-4
PubChem CID: 97006
DTXSID: DTXSID5067392
EC Number: 249-055-4
Nikkaji: J28.363K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Boiling point: 328.9 · 328.9±27.0 °C(Predicted)
Density: 1.344 · 1.344±0.06 g/cm3(Predicted)
pka: -1.62 · -1.62±0.50(Predicted)
EPA Substance Registry System: 4 · Benzenamine, 4-chloro-N-ethyl-2-nitro- (28491-95-4)
Hazard Codes: Xi
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2921420090 · 2921420090