5-メチルピリジン-2-スルホンアミド

5-Methyl-2-pyridinesulfonamide

HCID 3614199

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 65938-77-4
標準SMILES: Cc1ccc(S(N)(=O)=O)nc1
InChIKey: HXURYNQXMBRJLU-UHFFFAOYSA-N
分子式: C6H8N2O2S
平均分子量: 172.21 g/mol
単同位体質量: 172.0306485

名称と識別子

優先名称: 5-Methyl-2-pyridinesulfonamide
IUPAC: 5-methylpyridine-2-sulfonamide
現地名: 5-メチルピリジン-2-スルホンアミド
英語名: 5-Methyl-2-pyridinesulfonamide
分子式: C6H8N2O2S
分子量: 172.2

名称と別名

5-Methyl-2-pyridinesulfonamide65938-77-4DTXSID70394266RefChem:304091DTXCID60345126628-444-65-methylpyridine-2-sulfonamideMFCD006613635-methyl-2-pyridinesulphonamideCS-W017596SB524345-Methyl-2-pyridinesulfonamide, >=97%

名称をさらに表示

5-メチルピリジン-2-スルホンアミド5-メチル-2-ピリジンスルホンアミド-2-pyridinesuL5-Methylpyridine-2-sulphonamide2-Pyridinesulfonamide,5-methyl-(9CI)5-Methyl-2-pyridinesulfonamide >=97%5-Methylpyridine-2-sulphonamide 97%

SY014673EN300-2082282-Pyridinesulfonamide, 5-methyl-5-methyl-pyridine-2-sulfonamideFT-0686164A867567SCHEMBL51542SCHEMBL14918388

データベース識別子

CAS: 65938-77-4
PubChem CID: 3614199
DTXSID: DTXSID70394266
EC Number: 628-444-6
Nikkaji: J2.112.080D

物性

構造計算による物性

XLogP: 0.1
極性表面積: 81.4 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: 11
形式電荷: 0
複雑度: 219

物理化学的性質

融点: 127 · 127-132 °C
沸点: 361.3 · 361.3±44.0 °C(Predicted)
比重(密度): 1.346 · 1.346
屈折率: 1.564 · 1.564
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 9.33 · 9.33±0.60(Predicted)
BRN: 389057 · 389057
InChI: 1S/C6H8N2O2S/c1-5-2-3-6(8-4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey: HXURYNQXMBRJLU-UHFFFAOYSA-N
SMILES: Cc1ccc(nc1)S(N)(=O)=O

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 9
wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用5-METHYLPYRIDINE-2-SULFONAMIDE is a arylsulfonamide used as an intermeditae in the preparation of the endothelin receptor antagonist, Clazosentan. 5-Methyl-2-pyridinesulfonamide is also used as a reagent in the preparation of aziridines via copper or iron-catalyzed aziridination.