(R)-(+)-3,3,3-トリフルオロ-1,2-エポキシプロパン

(2R)-2-(trifluoromethyl)oxirane

HCID 7016923

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 143142-90-9
標準SMILES: FC(F)(F)[C@H]1CO1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
分子式: C3H3F3O
平均分子量: 112.05 g/mol
単同位体質量: 112.0135992

名称と識別子

優先名称: (2R)-2-(trifluoromethyl)oxirane
IUPAC: (2R)-2-(trifluoromethyl)oxirane
現地名: (R)-(+)-3,3,3-トリフルオロ-1,2-エポキシプロパン
英語名: R-(+)-2-Trifluoromethyloxirane
分子式: C3H3F3O
分子量: 112.05

名称と別名

143142-90-9(2R)-2-(trifluoromethyl)oxiraneRefChem:68841604-331-7(R)-2-(trifluoromethyl)oxirane(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropaneMFCD08276876R-(+)-2-TRIFLUOROMETHYLOXIRANE, 97R-(+)-3,3,3-Trifluoro-1,2-epoxypropaneC3H3F3O(2R)-(+)-3,3,3-Trifluoro-1,2-propenoxider-trifluoromethyloxirane

名称をさらに表示

(R)-(+)-3,3,3-トリフルオロ-1,2-エポキシプロパンR-(+)-2-Trifluoromethyloxirane(2R)-2-(Trifluoromethyl)oxirane (ee)Oxirane, 2-(trifluoromethyl)-, (2R)-(2R)-2-(Trifluoromethyl)oxirane, (2R)-1,2-Epoxy-3,3,3-trifluoropropane

SCHEMBL309609(R)-2-trifluoromethyl-oxiraneDTXSID401303893AKOS032958222AC-37976AS-54996EN300-200927W11990

データベース識別子

CAS: 143142-90-9
PubChem CID: 7016923
DTXSID: DTXSID401303893
EC Number: 604-331-7
Nikkaji: J1.744.380A

物性

構造計算による物性

XLogP: 1
極性表面積: 12.5 Å²
水素結合供与体数: 0
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: 76

物理化学的性質

沸点: 25 · 25-32 °C
比重(密度): 1.294 g/mL · 1.294 g/mL at 25 °C
屈折率: 20 · n20/D <1.300
闪点: -15 °F · -15 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
色: Clear
InChI: InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2/t2-/m1/s1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
SMILES: O1C[C@@H]1C(F)(F)F

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H224 (97.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 1 (97.7%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 1
hs_code: 2910900090
risk_code: 12
hazard_code: F+
safety_code: 3
Hazard Classifications: Flam. Liq. 1
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropane can be used as a substrate to synthesize: Substituted trifluoro amino propanols, which are found to be potent inhibitors of cholesteryl ester transfer protein. (2R) Trifluoro-(methoxybenzyloxy)-propanol (chiral glycol) by reacting with 4-methoxybenzyl alcohol in the presence of NaH. Chiral glycol intermediate is further utilized for the preparation of trifluoromethyl glycol carbamates as potential monoacylglycerol lipase (MAGL) inhibitors.