Ethyl bromodifluoroacetate (HCID 69585)

名称と識別子

優先名称: Ethyl bromodifluoroacetate
IUPAC: ethyl 2-bromo-2,2-difluoroacetate
現地名: ブロモジフルオロ酢酸エチル
英語名: Ethyl bromodifluoroacetate
分子式: C4H5BrF2O2
分子量: 202.98

名称と別名

Ethyl bromodifluoroacetate667-27-6ethyl 2-bromo-2,2-difluoroacetate2QFZ6JJ5YH2-bromo-2,2-difluoroacetic acid ethyl esterEINECS 211-567-0IRSJDVYTJUCXRV-UHFFFAOYSA-DTXSID40216845Acetic acid, 2-bromo-2,2-difluoro-, ethyl esterRefChem:138888DTXCID70139336211-567-0

名称をさらに表示

ブロモジフルオロ酢酸エチルジフルオロブロモ酢酸エチル2-ブロモ-2,2-ジフルオロ酢酸エチルブロモジフルオロ酢酸エチル臭化物ブロモ(ジフルオロ)酢酸エチルエチル 2-ブロモ-2,2-ジフルオロアセタート2,2-ジフルオロ-2-ブロモ酢酸エチル2-broMo-2,2-difluoroacetateEBDAEBFAbromodifLEthyl bromodifluoroaEthylbromdifluoracetatTwoethyl broMidefluorideEthybromodifluoroacetate

InChI=1/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3IRSJDVYTJUCXRV-UHFFFAOYSA-NEthylbromodifluoroacetateBromodifluoroacetic Acid Ethyl Esterethyl difluorobromoacetateAcetic acid, bromodifluoro-, ethyl esterethyl bromo(difluoro)acetateethyl 2-bromo-2,2-difluoro-acetate

データベース識別子

CAS: 667-27-6
PubChem CID: 69585
DTXSID: DTXSID40216845
UNII: 2QFZ6JJ5YH
EC Number: 211-567-0
Nikkaji: J205.964I

物性

構造計算による物性

XLogP: 1.6
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: 4
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 115

物理化学的性質

沸点: 112 °C/700 · 112 °C/700 mmHg (lit.)
比重(密度): 1.583 g/mL · 1.583 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.387(lit.)
闪点: 70 °F · 70 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: ほとんどの有機溶剤に溶けます。
外見: 液体
色: 無色透明～微黄色透明
比重: 1.583 · 1.583
BRN: 1906095 · 1906095
InChI: InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: IRSJDVYTJUCXRV-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)(F)F
CAS データベース: 667 · 667-27-6(CAS DataBase Reference)
NISTの化学物質情報: Ethyl bromodifluoroacetate(667-27-6)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (96.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 28-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31053

Acetic acid, bromodifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (96.3%)

安全データ

wgk: 3
tsca: No
ridadr: UN 2924 3/PG 2
hs_code: 29159000
risk_code: 10-34-36
消防法: 危-4-2-III
hazard_code: C,F,Xi
hazard_note: Irritant/Flammable
safety_code: 26-36/37/39-45-16-27
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

説明Ethyl bromodifluoroacetate, a clear to yellow liquid, is an ester of bromodifluoroacetic acid and ethyl alcohol. It is an ester that can be used to introduce the CF2 group when synthesizing chemical compounds. Ethyl bromdifluoroacetate is considered to be a good compound in the generation of compounds and for testing with other organic compounds like lactones, imines, and other amino acids.

使用Ethyl bromodifluoroacetate is usually used in the preparation of substituted ethyl 2′-pyridyldifluoroacetates,4-alkoxymethyl- and 4-aryloxymethyl-3,3-difluoropiperidines,α,α-difluoro-β-lactams,mono- and difluoromethylated phenanthridine derivatives.