3-Pyridinesulfonic acid

HCID 69468CAS 636-73-7

基本情報

標準SMILES: O=S(=O)(O)c1cccnc1
InChIKey: DVECLMOWYVDJRM-UHFFFAOYSA-N
分子式: C5H5NO3S
平均分子量: 159.17 g/mol
単同位体質量: 158.99901402

名称と識別子

優先名称: 3-Pyridinesulfonic acid
IUPAC: pyridine-3-sulfonic acid

名称と別名

3-Pyridinesulfonic acidpyridine-3-sulfonic acid636-73-7Pyridine-3-sulphonic acid3-Pyridine sulfonic acidC5H5NO3S3-Pyridylsulfonic acid3-Sulfopyridinebeta-SulfopyridineMFCD00006381Ethyl 3-[(Tetrahydropyranyl)oxy]butanoate104372-23-8

名称をさらに表示

pyridine, 3-sulpho-EINECS 211-265-9BRN 0120822AI3-524183-[(Tetrahydro-2H-pyran-2-yl)oxy]-butanoic Acid Ethyl Ester; Ethyl 3-((Tetrahydro-2H-pyran-2-yl)oxy)butanoateVXHpyridine-3-sulfonicacidVonoprazan Impurity 11

データベース識別子

CAS: 636-73-7
PubChem CID: 69468
DTXSID: DTXSID60212980
ChEMBL: CHEMBL4438353
UNII: Z6HTY55U4L
EC Number: 211-265-9
Nikkaji: J205.910J

物性

構造計算による物性

XLogP: -0.4
極性表面積: 75.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 193

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionWhite or yellow crystalline powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (51%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.