2-(トリフルオロメチル)-3,3,3-トリフルオロプロピオン酸メチル

Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

HCID 9673CAS 360-54-3

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
InChIKey: JGGBVFLRNNDHCM-UHFFFAOYSA-N
分子式: C5H4F6O2
平均分子量: 210.07 g/mol
単同位体質量: 210.01154834

名称と識別子

優先名称: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
IUPAC: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
現地名: 2-(トリフルオロメチル)-3,3,3-トリフルオロプロピオン酸メチル
英語名: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE
分子式: C5H4F6O2
分子量: 210.07

名称と別名

Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoatemethyl 2-(trifluoromethyl)-3,3,3-trifluoropropionateRefChem:813786808-139-6360-54-3Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl esterMethyl 3,3,3-trifluoro-2-(trifluoromethyl)propionateMethyl hexafluoroisobutyrateMFCD00054663ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTERBRN 1787515methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoate

名称をさらに表示

2-(トリフルオロメチル)-3,3,3-トリフルオロプロピオン酸メチル3,3,3-トリフルオロ-2-トリフルオロメチルプロピオン酸メチル3,3,3-トリフルオロ-2-(トリフルオロメチル)プロピオン酸メチル2-トリフルオロメチル-3,3,3-トリフルオロプロピオン酸メチル2,2-ビス(トリフルオロメチル)酢酸メチル3,3,3-トリフルオロ-2-(トリフルオロメチル)プロパン酸メチルメチル 3,3,3-トリフルオロ-2-(トリフルオロメチル)プロパノアートビス(トリフルオロメチル)酢酸メチルmethylhexafluoroisobutyratehexafluoro-isobutyricacimethylester2-(Methoxycarbonyl)-2H-perfluoropropaneMethyl2H-hexafluoro-2-methylpropanoate98%Methyl 2H-perfluoro-2-methylpropanoate 98%Methyl 2-(trifluoromethyl)-3,3,3-trifluoro-Methyl 2H-hexafluoro-2-methylpropanoate 98%

Methyl 2H-hexafluoro-2-methylpropanoate4-02-00-00856 (Beilstein Handbook Reference)SCHEMBL3140450DTXSID0073168Methyl bis(trifluoromethyl)acetateSBB094286AKOS016015328Methyl 2,2-Bis(trifluoromethyl)acetate

データベース識別子

CAS: 360-54-3
PubChem CID: 9673
DTXSID: DTXSID0073168
EC Number: 808-139-6
Nikkaji: J26.245E

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 178

物理化学的性質

沸点: 90 · 90-91°C
比重(密度): 1.604 · 1.604
屈折率: 1.269 · 1.269
闪点: 60 °C · 60°C
外見: clear liquid
色: Colorless to Almost colorless
CAS データベース: 360 · 360-54-3
EPAの化学物質情報: 3 · Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester (360-54-3)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.