Ethyl difluoroacetate (HCID 9961)

名称と識別子

優先名称: Ethyl difluoroacetate
IUPAC: ethyl 2,2-difluoroacetate
現地名: ジフルオロ酢酸エチル
英語名: Ethyl difluoroacetate
分子式: C4H6F2O2
分子量: 124.09

名称と別名

ETHYL DIFLUOROACETATE454-31-9Acetic acid, difluoro-, ethyl esterAcetic acid, 2,2-difluoro-, ethyl esterEINECS 207-223-4DTXSID0060010EC 207-223-4RefChem:596176DTXCID1040409207-223-4ethyl 2,2-difluoroacetateethyldifluoroacetate

名称をさらに表示

ジフルオロ酢酸エチルエチル＝ジフルオロアセタトuroacetateAKOS B020251ethyldifluoracetatART-CHEM-BB B020251EthyldifluorocetateDifluoroacetate(DFAE)

Difluoroacetic Acid Ethyl Esterdifluoro-acetic acid ethyl esterMFCD00013578ETHYL DIFLUORO ACETATEEthyl difluoroaceticethyl difluoroacetic acidethyl difluroacetate2,2-Difluoroacetic acid ethyl ester

データベース識別子

CAS: 454-31-9
PubChem CID: 9961
DTXSID: DTXSID0060010
UNII: A3R5VZ4KWN
EC Number: 207-223-4
Nikkaji: J79.622K

物性

構造計算による物性

XLogP: 0.9
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: 8
形式電荷: 0
複雑度: 82.1

実験および物理化学的性質

SpringerMaterials PropertiesViscosity

LogP0.87

物理化学的性質

沸点: 99.2 °C · 99.2 °C (lit.)
比重(密度): 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
蒸気圧: 30.03 · 30.03-200.2hPa at 20.03-56.98℃
屈折率: 1.3465 · 1.3465-1.3485
闪点: 25 °C · 25 °C
貯蔵温度: 2 · 2-8°C
溶解性: DMSO（控えめに）、メタノール（控えめに）
外見: 液体
比重: 1.242 · 1.242
色: 無色透明
水溶解度: 水にわずかに溶ける
BRN: 1748597 · 1748597
InChI: 1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: GZKHDVAKKLTJPO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(F)F
LogP: 0.87 at · 0.87 at 25℃
CAS データベース: 454 · 454-31-9(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, difluoro-, ethyl ester(454-31-9)
EPAの化学物質情報: Acetic acid, difluoro-, ethyl ester (454-31-9)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (71.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 202 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 02-08-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7247

Hazard Classes and CategoriesFlam. Liq. 2 (71.3%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 1992
hs_code: 29159000
risk_code: 34-10
化審法: (2)-3848
消防法: 危-4-2-III
hazard_code: C,F,T,Xi
hazard_note: Flammable
safety_code: 45-36/37/39-26-16-27
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2,2-difluoro-, ethyl ester: ACTIVE

応用分野

使用Ethyl difluoroacetate is used in pharmaceutical intermediates, acrylization oxidation and halogenating reaction of catalyst. Also ethyl difluoroacetate is used in preparing pyrrazolo-pyrimidine derivatives.

一般的な説明Ethyl difluoroacetate was degraded to difluoroacetic acid by the strains of Actinobacteria.