2-메틸-2-[4-(트리플루오로메틸)페닐]프로판산
2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
기본 정보
- CAS
32445-89-9- 표준 SMILES
CC(C)(C(=O)O)c1ccc(C(F)(F)F)cc1- InChIKey
HJQVJNQZQTWNPZ-UHFFFAOYSA-N- 분자식
- C11H11F3O2
- 평균 분자량
- 232.2 g/mol
- 단동위원소 질량
- 232.07111408
이름 및 식별자
- 우선 이름
- 2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
- IUPAC
- 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
- 현지명
- 2-메틸-2-[4-(트리플루오로메틸)페닐]프로판산
- 영어명
- 2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
- 분자식
- C11H11F3O2
- 분자량
- 232.2
이름 및 동의어
2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid2-Methyl-2-(4-(trifluoromethyl)phenyl)propanoic acidDTXSID60617173alpha,alpha-Dimethyl-4-(trifluoromethyl)benzeneacetic AcidRefChem:475151DTXCID60567927817-367-532445-89-92-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-PROPANOIC ACIDMFCD107035242-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid2-methyl-2-(4-trifluoromethyl-phenyl)-propionic acid
이름 더 보기
2-메틸-2-[4-(트리플루오로메틸)페닐]프로판산α,α-Dimethyl-4-(trifluoromethyl)benzeneacetic Acidα,α-Dimethyl-4-(trifluoromethyl)benzeneacetic Acid2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionicacidBenzeneacetic acid, α,α-dimethyl-4-(trifluoromethyl)-
SCHEMBL16264712-methyl-2-(4-trifluoromethylphSBB052657AKOS011682486TS-03297CS-0450990EN300-374037G10771
데이터베이스 식별자
- CAS
32445-89-9- PubChem CID
- 21706494
- DTXSID
DTXSID60617173- EC Number
- 817-367-5
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 263
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 고체
- 색상
- 오프 화이트
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 2916399090
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도2-Methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid can be used for preparation of triazoles and related compounds as 11β-hydroxysteroid dehydrogenase 1 inhibitors.
관련 반응
5건
화합물 노트
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