CAS 14337-43-0 Ethyl chloro(hydroximino)acetate (HCID 6816376)

名称と識別子

優先名称: Ethyl chloro(hydroximino)acetate
IUPAC: ethyl 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 chloro(hydroximino)acetateECl(HI)A cpdRefChem:594278Ethyl 2-chloro-2-(hydroxyimino)acetate14337-43-0Ethyl 2-chloro-2-hydroxyiminoacetateMFCD00010209Acetic acid, chloro(hydroxyimino)-, ethyl esterEthyl chloro(hydroxyimino)acetateethylcloro(hydroximino)acetateSCHEMBL391371ethyl chloro-(hydroximino)acetate

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ethyl (Z)-2-chloro-2-(hydroxyimino)acetateCHLOROOXIMEETHYL CHLOROOXIMIDOACETATEAKOS MSC-0743ZERENEX ZX011529Ethyl 2-chloro-2-(TIMTEC-BB SBB009890ETHYLCHLOROXIMIDOACETATE

UXOLDCOJRAMLTQ-UHFFFAOYSA-NDTXSID101035958ethyl 2-chloro-2-hydroximinoacetateAKOS015995567ethyl 2-chloro-2-hydroxyimino-acetateethyl-2-chloro-2-hydroxyimino-acetateSB67343ethyl 2-chloro-2 (hydroxyimino)acetate

データベース識別子

CAS: 14337-43-0
PubChem CID: 6816376
DTXSID: DTXSID101035958
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 · 5 件

Danger

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (95.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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 (97.9%)；Eye Dam. 1 (97.9%)；Resp. Sens. 1 (95.7%)；STOT SE 3 (95.7%)

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