기본 정보
- CAS
1005679-11-7- 표준 SMILES
Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)O- InChIKey
DNXCHZFSKZIXAH-UHFFFAOYSA-N- 분자식
- C8H8ClF3N2O2
- 평균 분자량
- 256.61 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
- IUPAC
- 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
- 영어명
- 2-(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID
- 분자식
- C8H8ClF3N2O2
- 분자량
- 256.61
이름 및 동의어
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid1005679-11-72-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acidMFCD034196882-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acidSCHEMBL1775809DNXCHZFSKZIXAH-UHFFFAOYSA-N2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]propanoic acidFQB67911SBB020489STK312197AKOS000308175
이름 더 보기
AKOS B007251ART-CHEM-BB B0072512-(4-CHLORO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID1H-Pyrazole-1-acetic acid, 4-chloro-α,5-dimethyl-3-(trifluoromethyl)-
CS-0262727EN300-83593F2169-07982-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoicacid2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-propionic acid, AldrichCPR
데이터베이스 식별자
- CAS
1005679-11-7- PubChem CID
- 17024557
- EC Number
- 184-206-7
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 287
물리화학적 성질
- 끓는 점
- 331.6 · 331.6±42.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.33 · 3.33±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933199090
화학 및 산업
상·하류 제품 정보
상류 원료
공급사3 곳
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
관련 반응
4건
화합물 노트
불러오는 중…