Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride

HCID 18778106CAS 126334-84-7

基本情報

標準SMILES: CCOC(=O)c1c(CCl)nc2ccccc2c1-c1ccccc1.Cl
InChIKey: ZFQMWRZOUKPJCD-UHFFFAOYSA-N
分子式: C19H17Cl2NO2
平均分子量: 362.2 g/mol
単同位体質量: 361.06363414

名称と識別子

優先名称: Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride
IUPAC: ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate;hydrochloride

名称と別名

ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride126334-84-71009306-55-1MFCD07308434ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate;hydrochloride2-Chloromethyl-4-phenyl-3-quinolinecarboxylic acid ethyl ester hydrochlorideC19H17Cl2NO2DTXSID50596160AKOS016003426SB72790AS-72466SY069674

名称をさらに表示

DB-062473EN300-10126F72190F868842ethyl 2-(chloromethyl)-4-phenyl-quinoline-3-carboxylate;hydrochlorideEthyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride, 97%Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate--hydrogen chloride (1/1)

データベース識別子

CAS: 126334-84-7
PubChem CID: 18778106
DTXSID: DTXSID50596160
EC Number: 139-107-3

物性

構造計算による物性

極性表面積: 39.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 24
形式電荷: 0
複雑度: 397

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)