Ethyl 4-bromobutyrate (HCID 76300)

名称と識別子

優先名称: Ethyl 4-bromobutyrate
IUPAC: ethyl 4-bromobutanoate
現地名: 4-ブロモ酪酸エチル
英語名: Ethyl 4-bromobutyrate
分子式: C6H11BrO2
分子量: 195.05

名称と別名

Ethyl 4-bromobutyrate2969-81-5Butanoic acid, 4-bromo-, ethyl esterEINECS 221-005-6NSC 133462AI3-36601DTXSID80183845RefChem:595356DTXCID20106336Butanoic acid, 4bromo, ethyl esterButanoic acid, 4bromo, ethyl ester (9CI)Butanoic acid, 4-bromo-, ethyl ester (9CI)

名称をさらに表示

4-ブロモ酪酸エチル4-ブロモブタン酸エチルエチル4-ブロモブチラート4‐ブロモ酪酸エチルエチル 4-ブロモブタノアート4-ブロモブチリル酸エチルエステル4- broMobutanoate4-Bromobutanoic acid, ethyl ester4- broMo ethyl4-bromohexanoate4-BromobutylesterEthyl 4-broMobutyrEthl 4-broMobutyrate

221-005-6Ethyl 4-bromobutanoate4-Bromobutyric Acid Ethyl EsterMFCD00000259ethyl4-bromobutyrate4-Bromo-butyric acid ethyl esterBrCH2CH2CH2C(O)OC2H54-bromobutanoic acid ethyl ester

データベース識別子

CAS: 2969-81-5
PubChem CID: 76300
DTXSID: DTXSID80183845
UNII: EZ8TY5JSD5
EC Number: 221-005-6
Nikkaji: J26.260I

物性

構造計算による物性

XLogP: 1.5
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: 2
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 83.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 98 · 98-100 °C
沸点: 80 · 80-82 °C/10 mmHg (lit.)
比重(密度): 1.363 g/mL · 1.363 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 195 °F · 195 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（少量）、酢酸エチル（少量）、メタノール（少量）
外見: 液体
比重: 1.363 · 1.363
色: 無色透明～黄色
水溶解度: 混和しない
BRN: 1749700 · 1749700
InChI: 1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey: XBPOBCXHALHJFP-UHFFFAOYSA-N
SMILES: CCOC(=O)CCCBr
CAS データベース: 2969 · 2969-81-5(CAS DataBase Reference)
NISTの化学物質情報: 4 · Ethyl 4-bromobutyrate(2969-81-5)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Butanoic acid, 4-bromo-, ethyl ester

Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23781

ETHYL 4-BROMOBUTYRATE: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Methyl dichloroacetate.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2915900090
risk_code: 36/37/38-22
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 4 件

用途試験研究用。

用途有機合成原料。

説明Ethyl 4-bromobutyrate is a colourless volatile liquid organic or biological reagent. It is used in organic synthesis to prepare 4-bromobutyl ester, 4-bromobutyl amide and 4-bromobutyl ether. It is also used in the synthesis of poly(2,6-dimethyl-1,4-epoxyphenyl ether) and isotopic thieno[2,3-b]azepin-4-one thieno[2,3-b]-azepin-4-one with antitumour activity. In the biological field, it has been used in enzyme-linked immunosorbent assays for zilpaterol.

使用Ethyl 4-bromobutyrate is used as a building block for the preparation of firefly luciferase inhibitor-conjucated peptide derivatives. It finds application in the synthesis of poly(2,6,-dimethyl-1,4-phehylene oxide) and thieno(2,3-b)-azepin-4-ones.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

邹平铭远进出口贸易有限公司18364991597

4-ブロモ酪酸エチル

基本情報