기본 정보
- CAS
126674-98-4- 표준 SMILES
Cn1cc(C(=O)Cl)c(C(F)(F)F)n1- InChIKey
KFKVECZQALNWSR-UHFFFAOYSA-N- 분자식
- C6H4ClF3N2O
- 평균 분자량
- 212.56 g/mol
- 단동위원소 질량
- 211.99642509
이름 및 식별자
- 우선 이름
- 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
- IUPAC
- 1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
- 현지명
- 1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-카보닐클로라이드
- 영어명
- 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
- 분자식
- C6H4ClF3N2O
- 분자량
- 212.56
이름 및 동의어
126674-98-41-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chlorideDTXSID70383231RefChem:231743DTXCID40334255MFCD041153941-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)-SCHEMBL9742301-Methyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl chlorideSBB094694AKOS016009523
이름 더 보기
1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-카보닐클로라이드1-Methyl-3-(trifluoomethyl)-1H-pyrazole-4-carbonyl chlorid1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-carbonyl chloride1-Methyl-4-(trifluoroMethyl)-1H-pyrazole-3-carbonyl chloride1H-Pyrazole-4-carbonyl chloride, 1-methyl-3-(trifluoromethyl)- (9CI)
MS-22181SY064614F2373701-methyl-3-trifluoromethylpyrazole-4-carbonyl chloride3-trifluoromethyl-1-methyl-1H-pyrazole-4-carbonyl chloride1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonylchloride1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid chloride1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid chloride
데이터베이스 식별자
- CAS
126674-98-4- PubChem CID
- 2794581
- DTXSID
DTXSID70383231- Nikkaji
- J2.894.533G
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 34.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 220
물리화학적 성질
- 끓는 점
- 122 °C · 122 °C
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -3 · -3+-.0.10(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2933199090
화학 및 산업
공급사15 곳
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