Pyridine, 2,3-dimethyl-, 1-oxide

HCID 3840573CAS 22710-07-2

기본 정보

표준 SMILES: Cc1ccc[n+]([O-])c1C
InChIKey: QWLULCKKOHDCIE-UHFFFAOYSA-N
분자식: C7H9NO
평균 분자량: 123.15 g/mol
단동위원소 질량: 123.06841391

이름 및 식별자

우선 이름: Pyridine, 2,3-dimethyl-, 1-oxide
IUPAC: 2,3-dimethyl-1-oxidopyridin-1-ium
영어명: 2,3-Dimethylpyridine-N-oxide
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

22710-07-22,3-dimethylpyridin-1-ium-1-olatePyridine, 2,3-dimethyl-, 1-oxideRefChem:870585DTXCID101731766DTXSID601301681700-260-12,3-dimethylpyridine 1-oxide2,3-Dimethylpyridine-n-oxide2,3-Lutidine-N-oxide2,3-Dimethylpyridine N-oxide2,3-dimethyl-1-oxidopyridin-1-ium

이름 더 보기

ansoprazole Impurity 30Lansoprazole related Impurity 12,3-Dimethylpyridine N-oxide ,98%2,3-Dimethylpyridine-N-oxide ISO 9001：2015 REACH

166521-76-2MFCD004608422,3-dimethyl-4-pyridine-N-Oxide2,3-Lutidine 1-oxide2,3-lutidin-N-oxide2,3-Lutidine N-oxide2,3-dimethylpyridin-1-ol2,3-dimethylpyridine1-oxide

데이터베이스 식별자

CAS: 22710-07-2
PubChem CID: 3840573
DTXSID: DTXSID601301681
EC Number: 700-260-1
Nikkaji: J355.007I

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 25.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

녹는점: 85 · 85-93 °C
끓는 점: 160 · 160-161 °C(Press: 1 Torr)
밀도: 1 · 1.00±0.1 g/cm3(Predicted)
저장 조건: RT, stored under nitrogen
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1.38 · 1.38±0.10(Predicted)
색상: 흰색에서 황백색까지

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39

화학 및 산업

응용 분야

용도2,3-Lutidine-N-oxide can be used in biological study of enzymic reduction of pyridine- and nitropyridine-N-oxide derivs. by ferredoxin-NADP+ oxidoreductase and the role of their electron accepting potency.