2-ジアゾ-3-オキソブタン酸エチル

Ethyl diazoacetoacetate

HCID 538206

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2009-97-4
標準SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
分子式: C6H8N2O3
平均分子量: 156.14 g/mol
単同位体質量: 156.05349212

名称と識別子

優先名称: Ethyl diazoacetoacetate
IUPAC: ethyl 2-diazo-3-oxobutanoate
現地名: 2-ジアゾ-3-オキソブタン酸エチル
英語名: Ethyl diazoacetoacetate
分子式: C6H8N2O3
分子量: 156.14

名称と別名

2009-97-4RefChem:596173626-053-5ETHYL DIAZOACETOACETATEethyl 2-diazo-3-oxobutanoateButanoic acid, 2-diazo-3-oxo-, ethyl esterEthyl 2-diazoacetoacetateMFCD090392642-diazo-3-oxo-butyric acid ethyl esterAcetoacetic acid, 2-diazo-, ethyl esterSCHEMBL962321ethyl 2-diazo-3-oxo-butanoate

名称をさらに表示

3-オキソ-2-ジアゾブタン酸エチル2-ジアゾアセト酢酸エチル2-ジアゾ-3-オキソ酪酸エチル2-ジアゾ-3-オキソブタン酸エチルジアゾアセト酢酸エチル2-アセチル-2-ジアゾ酢酸エチルエチル 2-ジアゾ-3-オキソブタノアート2-Diazo-3-oxobutyric acid ethylazaylethylacetic acidethyl ester2-Diazoacetoacetic acid ethyl ester2-Diazo-3-oxobutyric acid ethyl ester3-Oxo-2-diazobutanoic acid ethyl ester2-Diazo-3-oxobutanoic acid ethyl esterEthyl 2-diazo-3-oxobutanoate - [DA7326]

SCHEMBL27894097AKOS015894398AS-75565SY067070CS-0226508EN300-56469E82520F647959

データベース識別子

CAS: 2009-97-4
PubChem CID: 538206
EC Number: 626-053-5
Nikkaji: J80.360J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 45.4 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: 4
重原子数: 11
形式電荷: 0
複雑度: 228

物理化学的性質

沸点: 102 · 102-103 °C(Press: 12 Torr)
比重(密度): 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
蒸気圧: 0.36 psi · 0.36 psi ( 20 °C)
屈折率: 20 · n20/D 1.474(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: liquid
InChI: 1S/C6H8N2O3/c1-3-11-6(10)5(8-7)4(2)9/h3H2,1-2H3
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29270000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Self-react. CSkin Irrit. 2STOT SE 3
ストレージクラス: 5.2 - Organic peroxides and self-reacting hazardous materials

化学と産業

応用分野

一般的な説明Ethyl diazoacetoacetate is a diazo compound. It participates in Rh2(OAc)4-catalyzed reactions with arylalkylamines and diarylamines. Reaction of ethyl diazoacetoacetate with N-methyl pyrrole and pyrrole derivatives has been studied.

上流・下流製品情報

下流製品

サプライヤー38 社

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

化合物ノート

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