기본 정보
- CAS
158712-22-2- 표준 SMILES
Cn1nc(C(F)(F)F)c(C=O)c1Oc1cccc(C(F)(F)F)c1- InChIKey
LVCVIYROIVOGBN-UHFFFAOYSA-N- 분자식
- C13H8F6N2O2
- 평균 분자량
- 338.2 g/mol
- 단동위원소 질량
- 338.04899647
이름 및 식별자
- 우선 이름
- 1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1h-pyrazole-4-carbaldehyde
- IUPAC
- 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbaldehyde
- 영어명
- 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBALDEHYDE
- 분자식
- C13H8F6N2O2
- 분자량
- 338.21
이름 및 동의어
158712-22-21-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1h-pyrazole-4-carbaldehyde1-Methyl-3-(trifluoromethyl)-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carbaldehyde1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbaldehydeMFCD002436851-Methyl-3-(trifluoromethyl)-5-[3-(trifluoro-methyl)phenoxy]-1H-pyrazole-4-carbaldehyde1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1h-pyrazole-4-carboxaldehydeSCHEMBL9544900LVCVIYROIVOGBN-UHFFFAOYSA-NAKOS00506918110F-356SCS-0333976
이름 더 보기
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxaldehyde97%
1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl -phenoxy]-1H-pyrazole-4-carboxaldehyde
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 44.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 428
물리화학적 성질
- 녹는점
- 81 · 81-82°C
- 끓는 점
- 344.1 · 344.1±42.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.91 · -2.91±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933199090
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
공급사1 곳
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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