(Phenylsulfonyl)acetonitrile 苯磺酰乙腈

CAS 7605-28-9 MFCD00007550

化学结构图

7605-28-9
SMILES: N#CCS(=O)(=O)c1ccccc1

化学属性

Mol. FormulaC8H7NO2S
Mol. Weight181.21
Melting Point112-114 °C
TSCANo
Boiling Point398.5±34.0 °C at 760 mmHg

别名和识别编码

Chemical Name(Phenylsulfonyl)acetonitrile
Synonym Phenylsulfonylacetonitrile {LY} Phenylsulfonylacetonitrile {} {LY} Phenylsulfonylacetonitrile {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylsulfonylacetonitrile {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007550
CAS Number7605-28-9
PubChem Substance ID82077
Beilstein Registry Number640716
EC Number231-515-0
Chemical Name Translation苯磺酰乙腈
Reaxys-RN640716
InChIKeyZFCFFNGBCVAUDE-UHFFFAOYSA-N
LabNetwork Molecule IDLN01035889
Canonical SMILESC1=CC=C(C=C1)S(=O)(=O)CC#N
InChIInChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
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分类

  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301 IF SWALLOWED: 如果吞下去
  • P301+P310
  • P301+P310+P330
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Signal word Danger
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupIII
UN Number 3439 3276 UN3439
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Hazard Codes T T,Xi
Hazard Class6.1
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 图谱信息:苯磺酰乙腈(7605-28-9)质谱(MS) 苯磺酰乙腈(7605-28-9)核磁图( 13 CNMR) 苯磺酰乙腈(7605-28-9)红外图谱(IR2) 苯磺酰乙腈(7605-28-9)红外图谱(IR1) 苯磺酰乙腈(7605-28-9)核磁图( 1 HNMR)
  • TCI Shanghai:苯磺酰乙腈 Phenylsulfonylacetonitrile,>;98.0%(GC)(N)(7605-28-9)
  • Alfa Aesar:苯磺酰乙腈,98% Phenylsulfonylacetonitrile, 98%(7605-28-9)
  • Hazard Note:Irritant
  • Sigma Aldrich:7605-28-9(sigmaaldrich)
  • MOL 文件:7605-28-9.mol
  • 苯磺酰乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0799 苯磺酰乙腈 Phenylsulfonylacetonitrile 5G 287元 2014/06/02 P0799 苯磺酰乙腈 Phenylsulfonylacetonitrile 25G 742元 2010/05/25 A15427 苯磺酰乙腈, 98% Phenylsulfonylacetonitrile, 98% 50g 1484元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles

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