CAS 5255-75-4 2-((4-Nitrophenoxy)methyl)oxirane (HCID 21327)

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Basic information

CAS: 5255-75-4
Standard SMILES: O=[N+]([O-])c1ccc(OCC2CO2)cc1
InChIKey: FPIGOBKNDYAZTP-UHFFFAOYSA-N
Molecular formula: C9H9NO4
Average molar mass: 195.17 g/mol
Monoisotopic mass: 195.05315777

Overview

1,2-epoxy-3-(4-nitrophenoxy)propane is an epoxide that is oxirane substituted by a (4-nitrophenoxy)methyl group. It is an epoxide, an aromatic ether and a C-nitro compound. It is functionally related to a 4-nitrophenol.

Names & identifiers

Preferred name: 2-((4-Nitrophenoxy)methyl)oxirane
IUPAC: 2-[(4-nitrophenoxy)methyl]oxirane
English name: 1,2-EPOXY-3-(4-NITROPHENOXY)PROPANE
Molecular formula: C9H9NO4
Molecular weight: 195.17

Names & synonyms

5255-75-41,2-epoxy-3-(4-nitrophenoxy)propane2-[(4-Nitrophenoxy)methyl]oxirane1,2-Epoxy-3-(p-nitrophenoxy)propaneEPNPp-Nitrophenyl glycidyl ether2-((4-nitrophenoxy)methyl)oxiraneNitrophenyl glycidyl ether1,2-Epoxy-3-(4'-nitrophenoxy)propaneNSC-1733Oxirane, 2-((4-nitrophenoxy)methyl)-CHEBI:508

Show more names

BUTTPARK 98\04-86nitrophenylglycidyletherglycidyl4-nitrophenyletherp-nitrophenylglycidylether4-NITROPHENYLGLYCIDYLETHERPARA-NITROPHENYLGLYCIDYLETHER[(4-nitrophenoxy)methyl]-oxiran((4-nitrophenoxy)methyl)oxirane

DTXSID6086351296071991U0Oxirane, 2-[(4-nitrophenoxy)methyl]-RefChem:72054DTXCID60214742226-057-3Glycidyl 4-nitrophenyl etherGlycidyl p-nitrophenyl ether

Database identifiers

CAS: 5255-75-4

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 54 · 54-55 °C
Boiling point: 331.83 °C · 331.83°C (rough estimate)
Density: 1.3544 · 1.3544 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
form: crystalline solid
color: Yellow
CAS DataBase Reference: 5255 · 5255-75-4(CAS DataBase Reference)
FDA UNII: 96071991 U0 · 96071991U0
EPA Substance Registry System: p-Nitrophenyl glycidyl ether (5255-75-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: C
Safety Statements: 24 · 24/25
Hazard Note

Safety & regulation

Hazard information

Regulatory InformationTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.

Safety data

tsca: TSCA listed
hs_code: 29109000
Toxicity: mmo-sat 66 nmol/plate MUREAV 93,297,82
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).