4-Chloro-2-ethoxy-1-nitrobenzene

HCID 675064

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Basic information

CAS: 29604-25-9
Standard SMILES: CCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: YYQSMJVVERBZPU-UHFFFAOYSA-N
Molecular formula: C8H8ClNO3
Average molar mass: 201.61 g/mol
Monoisotopic mass: 201.0192708

Names & identifiers

Preferred name: 4-Chloro-2-ethoxy-1-nitrobenzene
IUPAC: 4-chloro-2-ethoxy-1-nitrobenzene
English name: 4-Chloro-2-ethoxy-1-nitrobenzene
Molecular formula: C8H8ClNO3
Molecular weight: 201.61

Names & synonyms

4-chloro-2-ethoxy-1-nitrobenzene29604-25-9DTXSID50350168RefChem:291483DTXCID70301238640-472-0Benzene, 4-chloro-2-ethoxy-1-nitro-MFCD026259564-Chloro-2-ethoxynitrobenzeneSCHEMBL316689YYQSMJVVERBZPU-UHFFFAOYSA-N4-chloro-2-ethoxy-1-nitro-benzene

Show more names

5-Chloro-2-nitrophenetole4-Chloro-2-ethoxynitrobenzene98%4-Chloro-2-ethoxynitrobenzene 98%4-Chloro-2-ethoxy-1-nitrobenzene 98%

STK000410AKOS000424176BS-22247ST053306CS-0450641G73693F772597SR-01000533257

Database identifiers

CAS: 29604-25-9
PubChem CID: 675064
DTXSID: DTXSID50350168
EC Number: 640-472-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 52 · 52-54
Boiling point: 302.3 · 302.3±22.0 °C(Predicted)
Density: 1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.: Keep Cold
form: solid
color: Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.