CAS 14337-43-0 Ethyl 2-chloro-2-(hydroxyimino)acetate (HCID 6399471)

名称と識別子

優先名称: Ethyl 2-chloro-2-(hydroxyimino)acetate
IUPAC: ethyl (2E)-2-chloro-2-hydroxyiminoacetate
現地名: 2-クロロ-2-(ヒドロキシイミノ)酢酸エチル
英語名: 2-Chloro-2-hydroxyiminoacetic acid ethyl ester
分子式: C4H6ClNO3
分子量: 151.55

名称と別名

Ethyl 2-chloro-2-(hydroxyimino)acetate861135-87-714337-43-0ethyl (2E)-2-chloro-2-hydroxyiminoacetateEthyl(E)-2-chloro-2-(hydroxyimino)acetate(Z)-ethyl 2-chloro-2-(hydroxyimino)acetateethyl (E)-2-chloro-2-(hydroxyimino)acetate(E)-ETHYL 2-CHLORO-2-(HYDROXYIMINO)ACETATEEthylchloroximidoacetateSCHEMBL391370AKOS005257209AC-23193

名称をさらに表示

2-クロロ-2-(ヒドロキシイミノ)酢酸エチル2-(ヒドロキシイミノ)-2-クロロ酢酸エチルヒドロキシイミノクロロ酢酸エチル(ヒドロキシイミノ)クロロ酢酸エチルクロロ(ヒドロキシイミノ)酢酸エチルエチルクロロキシミドアセタートα-クロログリオキサル酸エチルオキシム2-クロロ-2-ヒドロキシイミノ酢酸エチルクロロキシミド酢酸エチル2-クロロ-2-ヒドロキシイミノ酢酸エチルエステルエチル 2-クロロ-2-(ヒドロキシイミノ)アセタートCHLOROOXIMEETHYL CHLOROOXIMIDOACETATEEthyl chloro(hydroxyimino)acetateAKOS MSC-0743ZERENEX ZX011529Ethyl 2-chloro-2-(TIMTEC-BB SBB009890

AS-42683alpha-Chloroglyoxalic Acid Ethyl Ester OximeCS-0172248ethyl (2E)-2-chloro-2-hydroxyimino-acetateethyl (Z)-2-chloro-2-(hydroxyimino)acetate(E)-ETHYL2-CHLORO-2-(HYDROXYIMINO)ACETATE2-Chloro-2-(hydroxyimino)acetic Acid Ethyl EsterF696118

データベース識別子

CAS: 14337-43-0
PubChem CID: 6399471
EC Number: 604-347-4

物性

構造計算による物性

XLogP: 2.2
極性表面積: 58.9 Å²
水素結合供与体数: 1
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: 134

物理化学的性質

融点: 70 · 70-76 °C (lit.)
沸点: 230.5 · 230.5±23.0 °C(Predicted)
比重(密度): 1.36 · 1.36±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 7.6 · 7.60±0.10(Predicted)
色: White to Almost white
BRN: 606193 · 606193
InChI: InChI=1S/C4H6ClNO3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3
InChIKey: UXOLDCOJRAMLTQ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Cl)=NO
CAS データベース: 14337 · 14337-43-0(CAS DataBase Reference)

化学的性質

化学的特性off-white solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 9 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 CategoriesSkin Irrit. 2 (97.9%)

安全データ

F: 10-19-21
wgk: 3
ridadr: UN 3335
hs_code: 29280000
risk_code: 37/38-41-42/43-36/37/38
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39-45-36
hazard_class: 9

化学と産業

応用分野 · 1 件

使用Ethyl 2-chloro-2-(hydroxyimino)acetate has been used:in the preparation of (+)-and ()-Δ2-isoxazolinesin the synthesis of CIP-AS (), a chiral amino acid structurally related to glutamic acid, potential agonist at the ionotropic (±±)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid (AMPA)-kainate receptorsto generate ethoxycarbonylformonitrile oxide, in situ by treatment with sodium bicarbonateto prepare N-azirdinyloximes which on treatment with scandium triflate (418218) provide dihydro-oxadiazines