기본 정보
- CAS
321553-50-8- 표준 SMILES
COC(=O)c1ccccc1Sc1c(C=O)c(C(F)(F)F)nn1C- InChIKey
LXJSPNAOHFGHSS-UHFFFAOYSA-N- 분자식
- C14H11F3N2O3S
- 평균 분자량
- 344.31 g/mol
- 단동위원소 질량
- 344.04424788
이름 및 식별자
- 우선 이름
- Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
- IUPAC
- methyl 2-[4-formyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate
- 영어명
- 5-[(2-Methoxycarbonyl)phenylthio]-1-methyl-3-(trifluoromethyl)pyrazole4-carboxaldehyde 97%
- 분자식
- C14H11F3N2O3S
- 분자량
- 344.31
이름 및 동의어
321553-50-8Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylateMethyl 2-((4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoateMFCD00140853methyl 2-[4-formyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate5-[(2-Methoxycarbonyl)phenylthio]-1-methyl-3-(trifluoromethyl)pyrazole4-carboxaldehydeMethyl 2-([4-formyl-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]sulfanyl)benzenecarboxylateLXJSPNAOHFGHSS-UHFFFAOYSA-NAKOS0050702353F-384SCS-0333037methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzoate
이름 더 보기
5-[(2-Methoxycarbonyl)phenylthio]-1-methyl-3-(trifluoromethyl)pyrazole4-carboxaldehyde97%5-[(2-Methoxycarbonyl)phenylthio]-1-methyl-3-(trifluoromethyl)pyrazole4-carboxaldehyde 97%Benzoic acid, 2-[[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thio]-, methyl ester
Methyl2-((4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate
데이터베이스 식별자
- CAS
321553-50-8- PubChem CID
- 2775411
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 86.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 449
물리화학적 성질
- 녹는점
- 158 · 158~160℃
- 끓는 점
- 418.6 · 418.6±45.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.74 · -3.74±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933199090
화학 및 산업
공급사4 곳
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