CAS 848694-10-0 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide (HCID 21882943)

기본 정보

CAS: 848694-10-0
표준 SMILES: COc1c(C)c[n+]([O-])c(CCl)c1C
InChIKey: LWEDMPDRWLOJDD-UHFFFAOYSA-N
분자식: C9H12ClNO2
평균 분자량: 201.65 g/mol
단동위원소 질량: 201.0556563

이름 및 식별자

우선 이름: 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
IUPAC: 2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
현지명: 2-클로로메틸-4-메톡시-3,5-디메틸피리딘1-옥사이드
영어명: 2-ChloroMethyl-4-Methoxy-3,5-diMethylpyridine 1-Oxide
분자식: C9H12ClNO2
분자량: 201.65

이름 및 동의어

848694-10-02-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine 1-oxide2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-iumEsomeprazole Impurity 3LWEDMPDRWLOJDD-UHFFFAOYSA-NMFCD279297192-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYLPYRIDIN-1-IUM-1-OLATESCHEMBL311495DTXSID00619373Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-, 1-oxideAKOS037649269

이름 더 보기

2-클로로메틸-4-메톡시-3,5-디메틸피리딘1-옥사이드Esomeprazole Impurity 38Ace chloride nitrogen oxide control2 - (CHLOROMETHYL) -4 - METHOXY - 3,5 - DIMETHYL2-Chloromethyl-3,5-Dimethyl-4-Methoxypyridine-N-OxideEsomeprazole impurity 8/2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide2,9-dimethoxy-1,3-dimethyl-12-thioxo-12H-benzo[4',5']imidazo[2',1':2,3]imidazo[1,5-a]pyridin-5-ium

22F262UE45FC20278BS-17718DB-3032422-(chloromethyl)-4-methoxy-3,5-dimethylpyridine1-oxide2-(Chloromethyl)-4-methoxy-35-dimethylpyridine 1-oxide2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine-1-oxide2-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYL-1-OXIDOPYRIDIN-1

물성

구조 계산 물성

XLogP: 1
극성 표면적: 34.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

물리화학적 성질

끓는 점: 383.5 · 383.5±37.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 디클로로메탄 에 용해됨
물리적 상태: 갈색 반고체
산도 계수 (pKa): 2.22 · 2.22±0.10(Predicted)
InChI: InChI=1S/C9H12ClNO2/c1-6-5-11(12)8(4-10)7(2)9(6)13-3/h5H,4H2,1-3H3
InChIKey: LWEDMPDRWLOJDD-UHFFFAOYSA-N
SMILES: C1(CCl)[N+]([O-])=CC(C)=C(OC)C=1C

화학적 성질

Brown Semi-Solid

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Intermediate in the production of the antiulcer agent Omeprazole

상·하류 제품 정보

상류 원료

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride

공급사60 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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화합물 노트

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2-클로로메틸-4-메톡시-3,5-디메틸피리딘1-옥사이드