(S)‐1,1,1‐トリフルオロ‐2‐プロパノール

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

HCID 6999971

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3539-97-7
標準SMILES: C[C@H](O)C(F)(F)F
InChIKey: GILIYJDBJZWGBG-REOHCLBHSA-N
分子式: C3H5F3O
平均分子量: 114.07 g/mol
単同位体質量: 114.02924944

名称と識別子

優先名称: (2S)-1,1,1-Trifluoropropan-2-ol
IUPAC: (2S)-1,1,1-trifluoropropan-2-ol
現地名: (S)‐1,1,1‐トリフルオロ‐2‐プロパノール
英語名: (S)-1,1,1-TRIFLUORO-2-PROPANOL
分子式: C3H5F3O
分子量: 114.07

名称と別名

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

名称をさらに表示

(S)‐1,1,1‐トリフルオロ‐2‐プロパノール(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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 57.7

物理化学的性質

沸点: 67 · 67.0±35.0℃ (760 Torr)
比重(密度): 1.235 · 1.235±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 38.8 · 38.8±17.0℃
貯蔵温度: Store at room temperature
酸解離定数(Pka): 12.53 · 12.53±0.20(Predicted)
外見: liquid
色: Clear
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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

ridadr: UN1993
hs_code: 2905599890
消防法: 危-4-1-II

化学と産業

応用分野 · 2 件

説明(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.

使用(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.