1-メチル-1H-ピラゾール-4-スルホニルクロリド

1-methyl-1H-pyrazole-4-sulfonyl chloride

HCID 17024730

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 288148-34-5
標準SMILES: Cn1cc(S(=O)(=O)Cl)cn1
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
分子式: C4H5ClN2O2S
平均分子量: 180.61 g/mol
単同位体質量: 179.9760263

名称と識別子

優先名称: 1-methyl-1H-pyrazole-4-sulfonyl chloride
IUPAC: 1-methylpyrazole-4-sulfonyl chloride
現地名: 1-メチル-1H-ピラゾール-4-スルホニルクロリド
英語名: 1H-Pyrazole-4-sulfonylchloride,1-methyl-(9CI)
分子式: C4H5ClN2O2S
分子量: 180.61

名称と別名

1-methyl-1H-pyrazole-4-sulfonyl chloride288148-34-5DTXSID60588677RefChem:433899DTXCID00539441675-153-51-methylpyrazole-4-sulfonyl chloride1H-PYRAZOLE-4-SULFONYL CHLORIDE, 1-METHYL-MFCD04968667chloro(1-methylpyrazol-4-yl)sulfoneSCHEMBL425649RDAVKKQKMLINOH-UHFFFAOYSA-N

名称をさらに表示

1-メチル-1H-ピラゾール-4-スルホニルクロリドEOS-612901-methyl-(9CI)Relacorilant Impurity 21-methyl-4-pyrazolesulfonyl chloride1-Methyl-1H-pyrazol-4-sulfonyl chloride4-(Chlorosulphonyl)-1-methyl-1H-pyrazole1-Methyl-1H-pyrazole-4-sulphonyl chloride1-Methyl-1H-pyrazole-4-sulfonylchloride,97%

ALBB-012560SBB021604STK312805AKOS000302518CS-W007568PB123321-Methyl-1H-pyrazole-4-sulfonylchlorideDS-13556

データベース識別子

CAS: 288148-34-5
PubChem CID: 17024730
DTXSID: DTXSID60588677
EC Number: 675-153-5

物性

構造計算による物性

XLogP: 0.3
極性表面積: 60.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 210

物理化学的性質

沸点: 295.7 · 295.7±13.0 °C(Predicted)
比重(密度): 1.6 · 1.60±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: crystalline solid
酸解離定数(Pka): -3.33 · -3.33±0.10(Predicted)
色: White
InChI: InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
SMILES: N1(C)C=C(S(Cl)(=O)=O)C=N1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 5 reports by companies from 3 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.