1-Ethyl-2-nitrobenzene

HCID 69156

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Basic information

CAS: 30179-51-2
Standard SMILES: CCc1ccccc1[N+](=O)[O-]
InChIKey: PXWYZLWEKCMTEZ-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 1-Ethyl-2-nitrobenzene
IUPAC: 1-ethyl-2-nitrobenzene
English name: ethylnitrobenzene
Molecular formula: C8H9NO2
Molecular weight: 151.16256

Names & synonyms

2-Ethylnitrobenzene1-Ethyl-2-nitrobenzene612-22-6o-EthylnitrobenzeneBenzene, 1-ethyl-2-nitro-DZR8C3N7UENSC-5095DTXSID4073209RefChem:1055421DTXCID7042980210-299-1o-Nitroethylbenzene

Show more names

2-Ethyl-1-nitrobenzene30179-51-2EthylnitrobenzeneMFCD000242941-ethyl-2-nitro-benzeneCCRIS 3099NSC5095NSC 5095

Database identifiers

CAS: 30179-51-2、612-22-6
PubChem CID: 69156
DTXSID: DTXSID4073209
UNII: DZR8C3N7UE
EC Number: 210-299-1、250-083-4
Nikkaji: J86.590G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 142

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.

Not Classified