2-(4-Nitrophenyl)oxirane

HCID 92228

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Basic information

CAS: 6388-74-5
Standard SMILES: O=[N+]([O-])c1ccc(C2CO2)cc1
InChIKey: YKIUTLHCSNCTDZ-UHFFFAOYSA-N
Molecular formula: C8H7NO3
Average molar mass: 165.15 g/mol
Monoisotopic mass: 165.04259308

Overview

chemical alkylating agent ; structure given in first source

Names & identifiers

Preferred name: 2-(4-Nitrophenyl)oxirane
IUPAC: 2-(4-nitrophenyl)oxirane
English name: 2-(4-Nitrophenyl)oxirane
Molecular formula: C8H7NO3
Molecular weight: 165.15

Names & synonyms

2-(4-nitrophenyl)oxirane6388-74-54-Nitrostyrene oxidepara-nitrostyrene oxideP-nitrostyrene 7,8-oxideDTXSID101313114RefChem:406799DTXCID30894131228-998-5(p-Nitrophenyl)oxiranep-Nitrostyrene oxideOxirane, (4-nitrophenyl)-

Show more names

4-Nitrophenyloxirane1-Nitro-4-oxiranylbenzeneOxirane,2-(4-nitrophenyl)-

Benzene, 1-(epoxyethyl)-4-nitro-1,2-Epoxy-1-(p-nitrophenyl)ethaneMFCD001813401-(Epoxyethyl)-4-nitrobenzeneEINECS 228-998-5BRN 01403392-(4-nitro-phenyl)-oxirane(4-Nitrophenyl)oxirane

Database identifiers

CAS: 6388-74-5
PubChem CID: 92228
DTXSID: DTXSID101313114
EC Number: 228-998-5
Nikkaji: J207.002B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 84 · 84-85 °C
Boiling point: 302.7 · 302.7±30.0 °C(Predicted)
Density: 1.372 · 1.372±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Light yellow to yellow Solid
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362