2-((4-Nitrophenoxy)methyl)oxirane

HCID 21327CAS 5255-75-4

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(OCC2CO2)cc1
InChIKey: FPIGOBKNDYAZTP-UHFFFAOYSA-N
분자식: C9H9NO4
평균 분자량: 195.17 g/mol
단동위원소 질량: 195.05315777

개요

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.

이름 및 식별자

우선 이름: 2-((4-Nitrophenoxy)methyl)oxirane
IUPAC: 2-[(4-nitrophenoxy)methyl]oxirane
영어명: 1,2-EPOXY-3-(4-NITROPHENOXY)PROPANE
분자식: C9H9NO4
분자량: 195.17

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

CAS: 5255-75-4
PubChem CID: 21327
DTXSID: DTXSID60863512
ChEMBL: CHEMBL33775
ChEBI: CHEBI:508
UNII: 96071991U0
EC Number: 226-057-3
Nikkaji: J39.054B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 67.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 54 · 54-55 °C
끓는 점: 331.83 °C · 331.83°C (rough estimate)
밀도: 1.3544 · 1.3544 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
물리적 상태: 결정질 고체
색상: 노란색
EPA: p-Nitrophenyl glycidyl ether (5255-75-4)

화학적 성질

yellow solid

안전 및 규제

유해성 정보

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

안전 데이터

tsca: TSCA listed
독성: mmo-sat 66 nmol/plate MUREAV 93,297,82
HS 번호: 29109000
hazard_code: C
safety_code: 24/25
위험 참고 사항: Corrosive

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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).