1-メチル-1H-インドール-4-スルホニルクロリド

1-methyl-1H-indole-4-sulfonyl chloride

HCID 18525782CAS 876316-36-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1ccc2c(S(=O)(=O)Cl)cccc21
InChIKey: HFWFOJFQXZBLAU-UHFFFAOYSA-N
分子式: C9H8ClNO2S
平均分子量: 229.68 g/mol
単同位体質量: 228.9964274

名称と識別子

優先名称: 1-methyl-1H-indole-4-sulfonyl chloride
IUPAC: 1-methylindole-4-sulfonyl chloride
現地名: 1-メチル-1H-インドール-4-スルホニルクロリド
英語名: 1-Methyl-1H-indole-4-sulfonyl chloride
分子式: C9H8ClNO2S
分子量: 229.68

名称と別名

1-Methyl-1H-indole-4-sulfonyl chloride876316-36-8DTXSID80594538RefChem:231509DTXCID60545301690-007-01-methylindole-4-sulfonyl chloride1H-Indole-4-sulfonylchloride, 1-methyl-1-Methyl-1H-indole-4-sulphonyl chlorideMFCD086902601-methyl-1h-indole-4-sulfonylchlorideSCHEMBL791339

名称をさらに表示

1-メチル-1H-インドール-4-スルホニルクロリド1‐メチル‐1H‐インドール‐4‐スルホニルクロリド4-(Chlorosulphonyl)-1-methyl-1H-indole1H-Indole-4-sulfonyl chloride, 1-methyl-1-Methyl-1H-indole-4-sulphonylchloride97%1-Methyl-1H-indole-4-sulphonyl chloride 97%

HFWFOJFQXZBLAU-UHFFFAOHFWFOJFQXZBLAU-UHFFFAOYSA-Nchloro(1-methylindol-4-yl)sulfoneBKB31636SBB055044AKOS007930899BS-53109SY342714

データベース識別子

CAS: 876316-36-8
PubChem CID: 18525782
DTXSID: DTXSID80594538
EC Number: 690-007-0

物性

構造計算による物性

XLogP: 2
極性表面積: 47.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 311

物理化学的性質

融点: 94 °C · 94 °C
沸点: 382.9 · 382.9±15.0 °C(Predicted)
比重(密度): 1.43 · 1.43±0.1 g/cm3(Predicted)
外見: crystalline powder
色: Brown

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.