CAS 18830-44-9 Methyl 3,3,3-trifluoropropanoate (HCID 2782392)

基本情報

CAS: 18830-44-9
標準SMILES: COC(=O)CC(F)(F)F
InChIKey: PMGBATZKLCISOD-UHFFFAOYSA-N
分子式: C4H5F3O2
平均分子量: 142.08 g/mol
単同位体質量: 142.02416388

名称と識別子

優先名称: Methyl 3,3,3-trifluoropropanoate
IUPAC: methyl 3,3,3-trifluoropropanoate
現地名: 3,3,3-トリフルオロプロピオン酸メチル
英語名: Methyl 3,3,3-trifluoropropionate
分子式: C4H5F3O2
分子量: 142.08

名称と別名

18830-44-9Methyl 3,3,3-trifluoropropanoateDTXSID70382062RefChem:354492DTXCID00333087689-101-4Methyl 3,3,3-trifluoropropionateMFCD02262206Propanoic acid, 3,3,3-trifluoro-, methyl estermethyl trifluoropropionateAKOS009159232BS-16372

名称をさらに表示

3,3,3-トリフルオロプロピオン酸メチル3,3,3-トリフルオロプロパン酸メチルMETHYL 3,3,3-TRIFLUOROPRMethyl3,3,3-Trifluoropropionate>Methyl 3,3,3-trifluoropropionate, 98.5%

CS-0121472M2783AMY6839Methyl3,3,3,3,3-Trifluoropropionic Acid Methyl EsterFT-0676856SCHEMBL2390553SCHEMBL3123985

データベース識別子

CAS: 18830-44-9
PubChem CID: 2782392
DTXSID: DTXSID70382062
EC Number: 689-101-4
Nikkaji: J2.202.118D

物性

構造計算による物性

XLogP: 1.2
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: 5
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 107

物理化学的性質

沸点: 95 · 95-96°C
比重(密度): 1.241 · 1.241
屈折率: 1.3318 · 1.3318
闪点: -1 ℃ · -1℃
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 4 reports by companies from 4 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.