기본 정보
- CAS
1547-36-0- 표준 SMILES
O=C(O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
NOHJBOWARMTILE-UHFFFAOYSA-N- 분자식
- C5H4F6O3
- 평균 분자량
- 226.07 g/mol
- 단동위원소 질량
- 226.00646296
이름 및 식별자
- 우선 이름
- 3-Hydroxy-2H,2H-perfluoro-3-methylbutanoic acid
- IUPAC
- 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
- 현지명
- 3,3-BIS(트리플루오로메틸)-3-히드록시프로피온산
- 영어명
- 3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid
- 분자식
- C5H4F6O3
- 분자량
- 226.07
이름 및 동의어
3-Hydroxy-2H,2H-perfluoro-3-methylbutanoic acidRefChem:502354670-368-01547-36-04,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID3-Hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acidMFCD00040910BUTYRIC ACID, 3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-BRN 1911706Butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-
이름 더 보기
3,3-BIS(트리플루오로메틸)-3-히드록시프로피온산3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyricacid3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-butyricacibutanoic acid, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethy4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID, T4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYRIC ACID: TECH., 90%
SCHEMBL9608194,4,4-Trifluoro-3-hydroxy-3-trifluoromethylbutyric acidDTXSID20165701NOHJBOWARMTILE-UHFFFAOYSA-NSBB051078AKOS005173386BS-42250DB-043234
데이터베이스 식별자
- CAS
1547-36-0- PubChem CID
- 15244
- DTXSID
DTXSID20165701- EC Number
- 670-368-0
- Nikkaji
- J40.572H
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 215
물리화학적 성질
- 녹는점
- 85 °C · 85°C
- 수용성
- 물에 용해됩니다.
- BRN
- 1911706 · 1911706
- EPA
- 3 · 3,3-Bis(trifluoromethyl)-3-hydroxypropionic acid (1547-36-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 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 (100%)
안전 데이터
- rtecs
- ET4800000
- ridadr
- 3261
- HS 번호
- 2918199890
- risk_code
- 36/37/38
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive
화학 및 산업
응용 분야
용도4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid is a beta-hydroxy acid undergoes cyclization reaction to prepare beta-lactone.
공급사24 곳
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