CAS 167626-26-8 Methyl 3-hydrazinylbenzoate hydrochloride (HCID 23285088)

기본 정보

CAS: 167626-26-8
표준 SMILES: COC(=O)c1cccc(NN)c1.Cl
InChIKey: OBALLCFRLYMDPH-UHFFFAOYSA-N
분자식: C8H11ClN2O2
평균 분자량: 202.64 g/mol
단동위원소 질량: 202.05090527

이름 및 식별자

우선 이름: Methyl 3-hydrazinylbenzoate hydrochloride
IUPAC: methyl 3-hydrazinylbenzoate;hydrochloride
영어명: Methyl 3-hydrazinylbenzoate hcl
분자식: C8H11ClN2O2
분자량: 202.63814

이름 및 동의어

methyl 3-hydrazinylbenzoate hydrochlorideRefChem:815487856-527-9167626-26-8methyl 3-hydrazinylbenzoate hclmethyl 3-hydrazinobenzoate hydrochlorideMFCD20039888Benzoic acid, 3-hydrazino-, methyl ester, monohydrochloridemethyl 3-hydrazinylbenzoate;hydrochlorideSCHEMBL1403300OBALLCFRLYMDPH-UHFFFAOYSA-NDTXSID101380993

이름 더 보기

SGA62626methyl3-hydrazinylbenzoatehydrochloridemethyl 3-hydrazinobenzoate;hydrochlorideBS-31210methyl 3-hydrazineylbenzoate hydrochlorideSY151328DB-308283CS-0161106

데이터베이스 식별자

CAS: 167626-26-8
PubChem CID: 23285088
DTXSID: DTXSID101380993
EC Number: 856-527-9

물성

구조 계산 물성

극성 표면적: 64.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 161

물리화학적 성질

저장 조건: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C8H10N2O2.ClH/c1-12-8(11)6-3-2-4-7(5-6)10-9;/h2-5,10H,9H2,1H3;1H
InChIKey: OBALLCFRLYMDPH-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(NN)=C1.[H]Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.