4-Pyridineacetic acid hydrochloride

HCID 81097CAS 6622-91-9

기본 정보

표준 SMILES: Cl.O=C(O)Cc1ccncc1
InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N
분자식: C7H8ClNO2
평균 분자량: 173.6 g/mol
단동위원소 질량: 173.02435618

이름 및 식별자

우선 이름: 4-Pyridineacetic acid hydrochloride
IUPAC: 2-pyridin-4-ylacetic acid;hydrochloride

이름 및 동의어

6622-91-94-Pyridineacetic acid hydrochloride4-Pyridylacetic acid hydrochloride2-(pyridin-4-yl)acetic acid hydrochloride4-Carboxymethylpyridinium chloride4-Pyridineacetic acid, hydrochlorideB0SXW80JZMpyridin-4-ylacetic acid hydrochlorideDTXSID50216417EINECS 229-576-3NSC-53284NSC 53284

이름 더 보기

4-PYRIDINEACETIC ACID, HYDROCHLORIDE (1:1)RefChem:526613DTXCID50138908229-576-3MFCD000128272-pyridin-4-ylacetic acid;hydrochloride4-PYRIDINEACETIC ACID HCLAKOS009140643

데이터베이스 식별자

CAS: 6622-91-9
PubChem CID: 81097
DTXSID: DTXSID50216417
UNII: B0SXW80JZM
EC Number: 229-576-3

물성

구조 계산 물성

극성 표면적: 50.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.