Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)

HCID 79249CAS 5333-86-8

基本情報

標準SMILES: CCOC(=N)c1ccccc1.Cl
InChIKey: MODZVIMSNXSQIH-UHFFFAOYSA-N
分子式: C9H12ClNO
平均分子量: 185.65 g/mol
単同位体質量: 185.06074168

名称と識別子

優先名称: Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
IUPAC: ethyl benzenecarboximidate;hydrochloride

名称と別名

5333-86-8Ethyl iminobenzoate hydrochlorideBenzenecarboximidic acid, ethyl ester, hydrochlorideEthyl benzylimidate hydrochlorideBenzimido ethyl ether hydrochlorideNSC 2354Benzimidoyl ethyl ether hydrochlorideEINECS 226-248-1Benzimidic acid, ethyl ester, hydrochlorideDTXSID4063791Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)RefChem:117389

名称をさらに表示

DTXCID8041404226-248-1Ethyl benzimidate hydrochlorideEthyl benzimidate HClethyl benzenecarboximidate hydrochlorideMFCD00043246NSC-2354NSC2354

データベース識別子

CAS: 5333-86-8
PubChem CID: 79249
DTXSID: DTXSID4063791
UNII: SWZ9GU8WBL
EC Number: 226-248-1

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: 12
形式電荷: 0
複雑度: 128

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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.