Ethyl nitroacetate (HCID 69379)

名称と識別子

優先名称: Ethyl nitroacetate
IUPAC: ethyl 2-nitroacetate
現地名: ニトロ酢酸エチル
英語名: Ethyl nitroacetate
分子式: C4H7NO4
分子量: 133.1

名称と別名

Ethyl nitroacetate626-35-7Nitroacetic acid ethyl esterAcetic acid, nitro-, ethyl esterAcetic acid, 2-nitro-, ethyl esterNSC-423027SX8B7W4RDDTXSID9060817RefChem:139017DTXCID1043415210-944-7ethyl 2-nitroacetate

名称をさらに表示

ニトロ酢酸エチル2-ニトロ酢酸エチルエチル 2-ニトロアセタートEthyl nitrocetateJACS-626-35-72-nitrobutanoateEthlnitroacetateEthylNitroacetate>Ethylnitroacetate,97%Ethyl nitroacetate,98%

EthylnitroacetateMFCD00007403nitro ethyl acetateEINECS 210-944-7NSC 42302BRN 1210027ethyinitroacetate2-Nitroacetic Acid Ethyl Ester; Ethyl 2-Nitroacetate; Ethyl Nitroacetate; NSC 42302; Nitroacetic Acid Ethyl Ester

データベース識別子

CAS: 626-35-7
PubChem CID: 69379
DTXSID: DTXSID9060817
UNII: 7SX8B7W4RD
EC Number: 210-944-7
Nikkaji: J135.425F

物性

構造計算による物性

XLogP: 0.5
極性表面積: 72.1 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: 116

物理化学的性質

沸点: 105 · 105-107 °C/25 mmHg (lit.)
比重(密度): 1.199 g/mL · 1.199 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.424(lit.)
闪点: 198 °F · 198 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量）
酸解離定数(Pka): 1 · pK1:5.85 (25°C)
外見: 液体
色: 無色透明～微黄色透明
水溶解度: 水にわずかに溶ける。クロロホルム、酢酸エチルに可溶。
BRN: 1210027 · 1210027
InChI: 1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
InChIKey: FTKASJMIPSSXBP-UHFFFAOYSA-N
SMILES: CCOC(=O)C[N+]([O-])=O
CAS データベース: 626 · 626-35-7(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, nitro-, ethyl ester(626-35-7)
EPAの化学物質情報: Acetic acid, nitro-, ethyl ester (626-35-7)

化学的性質

化学的特性clear colourless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (30%): 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 10 reports by companies from 6 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. 2A (80%)；STOT SE 3 (30%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: AJ1074000
hs_code: 29159080
risk_code: 38
消防法: 危-5-II
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-37
hazard_class: IRRITANT, KEEP COLD
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2-nitro-, ethyl ester: INACTIVE

応用分野

用途有機合成用試薬。

使用Ethyl Nitroacetate is an ester of nitrocarboxylic acid used as an intermediate in the preparation of unsubstituted amino acids.

調製方法 · 1 件

純化方法Purify the ester by repeated distillation. IR:max 1748 (CO2), 1570 and 1337 (NO2), and 800cm-1 [Haszeldine J Chem Soc 2525 1953]. The hydrazine salt crystallises from 95% EtOH or MeOH as yellow crystals m 104-105o [Ungnade & Kissinger J Org Chem 22 1661 1957, Emmons & Freeman J Am Chem Soc 77 4391 1955]. [Beilstein 2 IV 537.]

上流・下流製品情報

上流原料

下流製品

4-HYDROXY-5-NITROPYRIMIDINE 4-BROMO-2-(TRIFLUOROMETHYL)-5-METHOXYPYRIDINE rac-(R*)-α-アミノ-3-フルオロ-4-ヒドロキシベンゼンプロピオン酸 2-クロロ-2-(ヒドロキシイミノ)酢酸エチル

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科瑞迪化学400-821-5857 021-64326257 · [email protected]

ニトロ酢酸エチル

基本情報