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

HCID 79249CAS 5333-86-8

기본 정보

표준 SMILES: CCOC(=N)c1ccccc1.Cl
InChIKey: MODZVIMSNXSQIH-UHFFFAOYSA-N
분자식: C9H12ClNO
평균 분자량: 185.65 g/mol
단동위원소 질량: 185.06074168

이름 및 식별자

우선 이름: Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
IUPAC: ethyl benzenecarboximidate;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 33.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 128

안전 및 규제

GHS 분류

GHS Classification · 4건

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.