691399

クロロスルホニルイソシアナート

Arxada quality, 99.0-100.3 % (w/w) (T)

• 別名: N-カルボニルスルファミルクロリド, CSI
• 化学式: ClSO₂NCO
• CAS番号: 1189-71-5
• 分子量: 141.53
• Beilstein: 1237247
• EC Number: 214-715-2
• MDL番号: MFCD00011608
• UNSPSCコード: 12352100
• PubChem Substance ID: 329761405
• NACRES: NA.22

特性

• 蒸気圧: 5.57 psi ( 20 °C)
• 品質水準: 100
• フォーム: liquid
• 品質: Arxada quality
• メーカー／製品名: Arxada AG
• 濃度: 99.0-100.3 % (w/w) (T)
• 不純物: ≤1.00% chloropropylsulfonyl isocyanate
• 屈折率: n20/D 1.447 (lit.)
• bp: 107 °C (lit.)
• mp: −44 °C (lit.)
• 密度: 1.626 g/mL at 25 °C (lit.)
• SMILES記法: ClS(=O)(=O)N=C=O
• InChI: 1S/CClNO3S/c2-7(5,6)3-1-4
• InChI Key: WRJWRGBVPUUDLA-UHFFFAOYSA-N

詳細

アプリケーション

• Pharmaceutical intermediates: A study explored the synthesis and carbonic anhydrase inhibitory properties of sulfamides derived from Chlorosulfonyl isocyanate, demonstrating its potential in the development of new therapeutic agents, particularly for treating conditions involving carbonic anhydrase enzymes (Aksu et al., 2013).
• Stereochemical synthesis applications: Chlorosulfonyl isocyanate was utilized for the stereoselective amination of chiral benzylic ethers in the total synthesis of (+)-sertraline, showcasing its critical role in the precise construction of complex pharmaceuticals (Lee et al., 2011).
• One-pot synthetic transformations: The compound′s use in one-pot conversion of trimethylsilyl ethers into urethanes was highlighted, further applied to synthesize novel neuromodulators like carisbamate. This illustrates Chlorosulfonyl isocyanate′s versatility in facilitating efficient and innovative synthetic routes in medicinal chemistry (Dong et al., 2008).

安全性情報

• ピクトグラム: GHS08,GHS05,GHS07
• シグナルワード: Danger
• 危険有害性情報: H302,H314,H317,H334
• 注意書き: P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• 補足的ハザード: EUH014
• 保管分類コード: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• 引火点(°F): >230.0 °F
• 引火点(℃): > 110 °C
• 個人用保護具 (PPE): Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter