4-Phenylpyridine-1-oxide

HCID 70803CAS 1131-61-9

기본 정보

표준 SMILES: [O-][n+]1ccc(-c2ccccc2)cc1
InChIKey: VZOPVKZLLGMDDG-UHFFFAOYSA-N
분자식: C11H9NO
평균 분자량: 171.19 g/mol
단동위원소 질량: 171.06841391

이름 및 식별자

우선 이름: 4-Phenylpyridine-1-oxide
IUPAC: 1-oxido-4-phenylpyridin-1-ium
영어명: 4-Phenylpyridine-N-oxide
분자식: C11H9NO
분자량: 171.2

이름 및 동의어

4-Phenylpyridine N-oxide1131-61-94-Phenylpyridine 1-oxide4-Phenylpyridine-1-oxidePyridine, 4-phenyl-, 1-oxide4-Phenylpyridine oxidep-Phenylpyridine N-oxideNSC-18755996ZG43F5TEEINECS 214-467-5NSC 187559AI3-62312

이름 더 보기

4-phenylpyridine-N-oxy4-phenyl-pyridin1-oxide4-Phenyl-pyridine1-oxide4-PhenylpyridineN-Oxide>Pyridine,4-phenyl-,1-oxide4-PHENYLPYRIDINE-N-OXIDE 97%1-Oxylato-4-phenylpyridinium4-Phenylpyridine-n-oxide,97%

RefChem:526452DTXCID7033315DTXSID9061548214-467-54-Phenylpyridine-N-oxide1-oxido-4-phenylpyridin-1-ium4-phenylpyridin-1-ium-1-olateMFCD00006208

데이터베이스 식별자

CAS: 1131-61-9
PubChem CID: 70803
DTXSID: DTXSID9061548
ChEMBL: CHEMBL192402
UNII: 96ZG43F5TE
EC Number: 214-467-5
Nikkaji: J203.376C、J3.625.707E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 25.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 146

물리화학적 성질

녹는점: 153 · 153-155 °C(lit.)
끓는 점: 301.18 °C · 301.18°C (rough estimate)
밀도: 1.1242 · 1.1242 (rough estimate)
굴절률: 1.49 · 1.4900 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0.89 · 0.89±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지
BRN: 121493 · 121493
InChI: 1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey: VZOPVKZLLGMDDG-UHFFFAOYSA-N
SMILES: [O-][n+]1ccc(cc1)-c2ccccc2
EPA: 4 · 4-Phenylpyridine-1-oxide (1131-61-9)

화학적 성질

beige to light brown crystalline powder

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2933399990
safety_code: 22-24/25
F 고인화성물질: 3-9
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyridine, 4-phenyl-, 1-oxide: INACTIVE

응용 분야

용도4-phenylpyridine n-oxide can be used as a catalyst for various reactions, such as, halogen bonding, and enantioselective epoxidation of non-selective alkenes leading to a higher catalytic activity.