CAS 199328-31-9 2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride (HCID 4962506)

基本情報

CAS: 199328-31-9
標準SMILES: O=C1Cc2cc(S(=O)(=O)Cl)ccc2N1
InChIKey: FYBNVKMJOOYPGI-UHFFFAOYSA-N
分子式: C8H6ClNO3S
平均分子量: 231.66 g/mol
単同位体質量: 230.97569173

名称と識別子

優先名称: 2-oxo-2,3-dihydro-1H-indole-5-sulfonyl chloride
IUPAC: 2-oxo-1,3-dihydroindole-5-sulfonyl chloride
現地名: 2-オキソインドリン-5-スルホニルクロリド
英語名: 2-Oxoindoline-5-sulphonyl chloride 97
分子式: C8H6ClNO3S
分子量: 231.66

名称と別名

2-Oxo-2,3-dihydro-1H-indole-5-sulfonyl chlorideRefChem:477701638-957-72-Oxoindoline-5-sulfonyl chloride199328-31-92-oxo-1,3-dihydroindole-5-sulfonyl ChlorideMFCD066559241H-Indole-5-sulfonyl chloride, 2,3-dihydro-2-oxo-2-oxoindoline-5-sulfonylchloride2-oxo-5-indolinesulfonyl chlorideC8H6ClNO3S5-chlorosulfonyl-2-oxindole

名称をさらに表示

2-オキソインドリン-5-スルホニルクロリド2‐オキソインドリン‐5‐スルホニルクロリド5-Chlorosulfonyloxindole2-OXOINDOLINE-5-SULPIndolone-5-sulfonyl chloride5-CHLOROSULPHONYL-2-OXINDOLE5-chlorosulfonyl-2-indolinone2-Oxindole-5-sulphonyl chloride2-Oxindole-5-sulphonylchloride97%2-Oxindole-5-sulphonyl chloride 97%

2-Oxoindoline-5-sulphonyl chloride5-(chlorosulfonyl)indolin-2-one2,3-Dihydro-2-oxo-1H-indole-5-sulphonyl chloride2-Oxindole-5-sulfonyl chloride5-chlorosulphonyl5-chlorosulphonyloxindole5-chlorosulfonyl oxindole5-chlorosufonyl-2-oxindole

データベース識別子

CAS: 199328-31-9
PubChem CID: 4962506
DTXSID: DTXSID00407111
EC Number: 638-957-7

物性

構造計算による物性

XLogP: 1.2
極性表面積: 71.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 348

物理化学的性質

融点: 160 · >160
沸点: 445.6 · 445.6±45.0 °C(Predicted)
比重(密度): 1.568 · 1.568±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 12.34 · 12.34±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 4 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 CategoriesAcute Tox. 4 (25%)

安全データ

hs_code: 2933790090
hazard_code: C
hazard_note: Corrosive

化学と産業

応用分野 · 1 件

使用2-Oxo-5-indolinesulfonyl Chloride is a reactant used in the preparation of bis-indole-substituted pyridines and piperazinediones derivatives with potential antitumor activity. Also used in the preparation of antitumor 3,5-substituted indolin-2-one derivatives.