4-Pyridineacetic acid hydrochloride

HCID 81097CAS 6622-91-9

基本情報

標準SMILES: Cl.O=C(O)Cc1ccncc1
InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N
分子式: C7H8ClNO2
平均分子量: 173.6 g/mol
単同位体質量: 173.02435618

名称と識別子

優先名称: 4-Pyridineacetic acid hydrochloride
IUPAC: 2-pyridin-4-ylacetic acid;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 50.2 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 119

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