기본 정보
- CAS
84006-10-0- 표준 SMILES
COc1c(C)cnc(CCl)c1C- InChIKey
SRKVJDYNPSMHJM-UHFFFAOYSA-N- 분자식
- C9H12ClNO
- 평균 분자량
- 185.65 g/mol
- 단동위원소 질량
- 185.06074168
이름 및 식별자
- 우선 이름
- 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
- IUPAC
- 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
- 영어명
- 2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine
- 분자식
- C9H12ClNO
- 분자량
- 185.65
이름 및 동의어
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-02-Chloromethyl-3,5-dimethyl-4-methoxypyridine2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridineNH3A66X6A6DTXSID70356147RefChem:84631DTXCID80307206617-518-3MFCD03265239Pyridine, 2-(chloromethyl)-4-methoxy-3,5-dimethyl-2-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine
이름 더 보기
2-CHLORO METHYL-3,5-DIMETHYL-4-METHOXY PTENA-004Esomeprazole Impurity 832-Chloromethyl-3-,5-Dimethyl-4-Omeprazole related compound impurities2-(Chloromethyl)-4-methoxy-3,5-lutidine2-Chloromethyl-3,5-dimethyl-4-methoxypyr
2-chloromethyl-4-methoxy-3,5-dimethyl-pyridineEsomeprazole Impurity 1012-chloromethyl-4-methoxy-3,5-dimethylpyridineUNII-NH3A66X6A62-(chloromethyl)-4-methoxy-3, 5-dimethylpyridineSCHEMBL1160150SCHEMBL29546790SRKVJDYNPSMHJM-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
84006-10-0- PubChem CID
- 819992
- DTXSID
DTXSID70356147- UNII
- NH3A66X6A6
- EC Number
- 617-518-3
- Nikkaji
- J1.569.412B
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 22.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
물리화학적 성질
- 끓는 점
- 272.2 · 272.2±35.0 °C(Predicted)
- 밀도
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 5.56 · 5.56±0.40(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine is an intermediate in the synthesis of Omeprazole (O635000), an antiulcer agent.
상·하류 제품 정보
상류 원료
하류 제품
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