アジド酢酸エチル

Acetic acid, azido-, ethyl ester

HCID 69480CAS 637-81-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)CN=[N+]=[N-]
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
分子式: C4H7N3O2
平均分子量: 129.12 g/mol
単同位体質量: 129.05382646

名称と識別子

優先名称: Acetic acid, azido-, ethyl ester
IUPAC: ethyl 2-azidoacetate
現地名: アジド酢酸エチル
英語名: Ethyl Azidoacetate
分子式: C4H7N3O2
分子量: 129.12

名称と別名

Ethyl azidoacetate637-81-0Azidoacetic acid ethyl esterAcetic acid, azido-, ethyl esterCCRIS 3368EINECS 211-301-3BRN 4247209DTXSID30213101NSC 84132RefChem:316550DTXCID90135592211-301-3

名称をさらに表示

アジド酢酸エチル2-アジド酢酸エチルエチル 2-アジドアセタートアジド酢酸エチル,25% トルエン溶液azidoacetateazido-aceticaciethylesterDDYSYZETHYL AZIDOACETETHYLAZIDACETATEEthyl azidacetate 97%Cefazolin Impurity 37ethyl 2-azidoethanoate

Ethyl 2-azidoacetateAzido-acetic acid ethyl esterMFCD00190177Acetic acid, 2-azido-, ethyl esterEthylazidoacetateethyl azido-acetateethyl-2-azidoacetateethyl alpha-azidoacetate

データベース識別子

CAS: 637-81-0
PubChem CID: 69480
DTXSID: DTXSID30213101
EC Number: 211-301-3
Nikkaji: J205.911H

物性

構造計算による物性

XLogP: 1.6
極性表面積: 40.7 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: 9
形式電荷: 0
複雑度: 139

物理化学的性質

沸点: 44 · 44-46°C 2mm
比重(密度): 1.12 g/ml · 1.12g/ml
屈折率: 1.433 to · 1.4330 to 1.4370
闪点: 25 °C · 25 °C
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（少量）、酢酸エチル（少量）
外見: 油
色: 無色～淡黄色
BRN: 4247209 · 4247209
InChI: InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N
SMILES: C(=O)(OCC)CN=[N+]=[N-]
CAS データベース: 637 · 637-81-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (90.5%): Flammable liquid and vapor [Warning Flammable liquids]

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 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (90.5%)

安全データ

wgk: 2
ridadr: UN 1593 6.1/PG 3
hs_code: 2929.90.5090
risk_code: 1-40-36/37/38-10-67-65-63-48/20-38-11
消防法: 危-4-2-III
hazard_code: Xn,Xi,C,F
hazard_note: Irritant/Corrosive
safety_code: 7-16-26-35-36-47-62-45-36/37
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用Ethyl Azidoacetate is an important organic substance that can undergo cyclisation reactions and is commonly used in the field of chemical synthesis.The condensation of 1-methyl-β-carboline-3-carbaldehyde with ethyl azidoacetate can be used to prepare 2-formylxanthine derivatives[1].