4-(4-니트로페닐)모르폴린-3-원

4-(4-Nitrophenyl)-morpholin-3-ON

HCID 11447375

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 446292-04-2
표준 SMILES: O=C1COCCN1c1ccc([N+](=O)[O-])cc1
InChIKey: OWMGEFWSGOTGAU-UHFFFAOYSA-N
분자식: C10H10N2O4
평균 분자량: 222.2 g/mol
단동위원소 질량: 222.0640568

이름 및 식별자

우선 이름: 4-(4-Nitrophenyl)-morpholin-3-ON
IUPAC: 4-(4-nitrophenyl)morpholin-3-one
현지명: 4-(4-니트로페닐)모르폴린-3-원
영어명: 4-(4-Nitrophenyl)morpholin-3-one
분자식: C10H10N2O4
분자량: 222.2

이름 및 동의어

4-(4-NITROPHENYL)-3-MORPHOLINONE4-(4-Nitrophenyl)-morpholin-3-ONEC 610-199-1RefChem:514460610-199-14-(4-nitrophenyl)morpholin-3-one446292-04-2MFCD082367413-Morpholinone, 4-(4-nitrophenyl)-4-(4-nitrophenyl)-3-oxomorpholine3-Morpholinone,4-(4-nitrophenyl)-SCHEMBL78624

이름 더 보기

4-(4-니트로페닐)모르폴린-3-원4-(4-nitrophenyl)-3-morpholine4-(4-nitrophenyl)morphin-3-one4-(4-nitrophenyl)morpholine-3-one4-(3-oxo-4-morpholine) nitrobenzene4- (4-Nitrophenyl) Morpholin-3-One/CAS 446292-04-2

GE-0240AC-264424-(3-Oxo-4-morpholinyl)nitrobenzene4-(4-Nitrophenyl)-3-morpholinone; 4-(3-Oxo-4-morpholinyl)nitrobenzene; 4-(4-Nitrophenyl)-3-oxomorpholine; 4-(4-Nitrophenyl)morpholin-3-oneYZ6LB5TLR9A851969DTXSID20466164OWMGEFWSGOTGAU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 446292-04-2
PubChem CID: 11447375
DTXSID: DTXSID20466164
UNII: YZ6LB5TLR9
EC Number: 610-199-1

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 75.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 281

물리화학적 성질

끓는 점: 516.8 · 516.8±45.0 °C(Predicted)
밀도: 1.397 · 1.397
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -4.12 · -4.12±0.20(Predicted)
물리적 상태: 고체
색상: 황백색에서 노란색까지
InChI: InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKey: OWMGEFWSGOTGAU-UHFFFAOYSA-N
SMILES: N1(C2=CC=C([N+]([O-])=O)C=C2)CCOCC1=O

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 04-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13365

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 29349990
safety_code: 24/25
위험 등급: IRRITANT

화학 및 산업

응용 분야

개요4-(4-Nitrophenyl)morpholin-3-one is a nitro compound that has been shown to be magnetic and show an operational chemical formula. It has been studied in techniques such as magnetic resonance imaging (MRI) and X-ray crystallography.

용도4-(4-Nitrophenyl)morpholin-3-one is a reagent used in the preparation of various Morpholine based pharmaceuticals.