CAS 36743-66-5 Ethyl 2-chloroethanecarboximidate hydrochloride (HCID 12470659)

基本情報

CAS: 36743-66-5
標準SMILES: CCOC(=N)CCl.Cl
InChIKey: BGWMHFKCAUBYJJ-UHFFFAOYSA-N
分子式: C4H9Cl2NO
平均分子量: 158.02 g/mol

名称と識別子

優先名称: Ethyl 2-chloroethanecarboximidate hydrochloride
IUPAC: ethyl 2-chloroethanimidate;hydrochloride
英語名: 2-chloro-1-ethoxy-ethanimine
分子式: C4H8ClNO
分子量: 0

名称と別名

ETHYL 2-CHLOROETHANECARBOXIMIDATE HYDROCHLORIDERefChem:594300632-670-036743-66-5Ethyl 2-chloroacetimidate hydrochlorideETHYL 2-CHLOROETHANIMIDOATE HYDROCHLORIDEethyl 2-chloroethanimidate;hydrochlorideMFCD10697958Ethyl 2-chloro-acetimidate HClETHYL 2-CHLOROETHANIMIDATE HYDROCHLORIDEethyl 2-chloro-acetimidate hydrochlorideETHYL 2-CHLORO ACETIMIDATE HYDROCHLORIDE

名称をさらに表示

Methyl 2-chloroacetiMidate2-chloro-1-ethoxy-ethanimineChloroacetimidic acid ethyl ester hydrochloride

2-Chloroethanimidic acid ethyl ester hydrochlorideethyl chloroacetimidate hydrochloride2-chloro-acetimidic acid ethyl ester hydrochlorideSCHEMBL310897BGWMHFKCAUBYJJ-UHFFFAOYSA-NNSC39460Ethyl2-chloroacetimidatehydrochlorideAC8745

データベース識別子

CAS: 36743-66-5
PubChem CID: 12470659
EC Number: 632-670-0

物性

構造計算による物性

極性表面積: 33.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 64.7

物理化学的性質

融点: 89 ℃ · 89℃
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
InChI: InChI=1S/C4H8ClNO/c1-2-7-4(6)3-5/h6H,2-3H2,1H3
InChIKey: VDNWDRKRMWWQFL-UHFFFAOYSA-N
SMILES: C(=N)(OCC)CCl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 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 CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2925290090

化学と産業

応用分野 · 1 件

使用Ethyl Chloroacetimidate Hydrochloride is an intermediate in the synthesis of f Phentolamine-d4 Hydrochloride A labelled Phentolamine (P302550) which is an adrenergic blocking agent. An antihypertensive. Used for the treatment of pheochromocytoma.