(2S)-1,1,1-Trifluoropropan-2-ol

HCID 6999971

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3539-97-7
표준 SMILES: C[C@H](O)C(F)(F)F
InChIKey: GILIYJDBJZWGBG-REOHCLBHSA-N
분자식: C3H5F3O
평균 분자량: 114.07 g/mol
단동위원소 질량: 114.02924944

이름 및 식별자

우선 이름: (2S)-1,1,1-Trifluoropropan-2-ol
IUPAC: (2S)-1,1,1-trifluoropropan-2-ol
영어명: (S)-1,1,1-TRIFLUORO-2-PROPANOL
분자식: C3H5F3O
분자량: 114.07

이름 및 동의어

3539-97-7(2S)-1,1,1-trifluoropropan-2-olDTXSID10426459RefChem:206842DTXCID90377293690-088-2(S)-1,1,1-TRIFLUORO-2-PROPANOL(S)-1,1,1-trifluoropropan-2-ol(S)-1,1,1-Trifluoroisopropanol2-PROPANOL, 1,1,1-TRIFLUORO-, (2S)-MFCD06797331(S)-(-)-1,1,1-trifluoro-2-propanol

이름 더 보기

(S)-Trifluoroisopropanol(2S)-1,1,1-trifluoro-2-propanol(2S)-2-Hydroxy-1,1,1-trifluoropropane(S)-1,1,1-Trifluoroisopropanol - [T23247](S)-1,1,1-TRIFLUORO-2-PROPANOL (2S)-1,1,1-

17556-48-8SCHEMBL11569(S)-1,1,1-Trifluoropropanol(S)-1,1,1-trifluor-2-propanolCS-0130643EN300-1929750(S)-1,1,1-trifluoro-propan-2-ol(S)-1,1,1-Triflu

데이터베이스 식별자

CAS: 3539-97-7
PubChem CID: 6999971
DTXSID: DTXSID10426459
EC Number: 690-088-2
Nikkaji: J52.780G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 57.7

물리화학적 성질

끓는 점: 67 · 67.0±35.0℃ (760 Torr)
밀도: 1.235 · 1.235±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 38.8 · 38.8±17.0℃
저장 조건: Store at room temperature
산도 계수 (pKa): 12.53 · 12.53±0.20(Predicted)
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
InChIKey: GILIYJDBJZWGBG-REOHCLBHSA-N
SMILES: C(F)(F)(F)[C@@H](O)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

ridadr: UN1993
HS 번호: 2905599890

화학 및 산업

응용 분야 · 2건

개요(S)-1,1,1-Trifluoro-2-propanol is a compound important as an intermediate for various medicines and agrichemicals. Aside from methods using chemical catalysts, biological methods of reducing 1,1,1-trifluoroacetone to (S)-1,1,1-trifluoro-2-propanol by having microbial enzymes act on 1,1,1-trifluoroacetone has hitherto been studied.

용도(S)-1,1,1-TRIFLUORO-2-PROPANOL can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.