4-Methylbenzenesulfonyl fluoride 4-甲基苯磺酰氟

CAS 455-16-3 MFCD00007421

化学结构图

455-16-3
SMILES: Cc1ccc(S(=O)(=O)F)cc1

化学属性

Mol. FormulaCH3C6H4SO2F
Mol. Weight174.19
Boiling Point112 °C/16 mmHg(lit.)
Melting Point41-42 °C(lit.)
TSCAYes
Flash Point105°(221°F)
Solubilitydry solvents (ethanol, methanol, and 2-propanol): 200 mM Stock solution are stable for months at 4°C.
Density0.797 g/mL at 20 °C

别名和识别编码

Chemical Name4-Methylbenzenesulfonyl fluoride
CAS Number455-16-3
Alfabeta NameTOLUENESULFONYLFLUORIDE 4-
MDL NumberMFCD00007421
Synonym ALPHA-TOLUENESULFONYL FLUORIDE Toluene-p-sulphonyl fluoride p-Fluorosulfonyltoluene 苯甲基黄酰氟 { Tosyl fluoride PHENYLMETHANESULFONIC ACID FLUORIDE p-methylbenzenesulfonylfluoride A-TOLUENESULFONYL FLUORIDE P-Toluenesulfonyl toluene-p-sulphonylfluoride PHENYLMETHANESULFONYL FLUORIDE p-Toluenesulfonic acid fluoride PHENYLMETHYLSUFONYL FLUORIDE p-Methylphenylsulfonyl fluoride toluene-4-sulfonylfluoride 4-METHYLBENZENESULFONYL FLUORID 4-methyl-benzenesulfonylfluorid 苯甲基磺酰氟化物 Benzenesulfonyl fluoride, 4-methyl- PHENYLMETHANSULFOFLUORIDE ALPHA-TOLUENESULPHONYL FLUORIDE PHENYLMETHANESULPHONYL FLUORIDE 苯甲基磺醯化氟 p-Methylphenylsulfonyl fluoride P-TOLUENESULPHONYL FLUORIDE para-toluenesulfonyl fluoride BENZENEMETHANESULFONYL FLUORIDE p-Toluolsulfonsäurefluorid 苯甲磺酰氟 BENZYLSULFONYL FLUORID Toluene-4-sulfonyl fluoride p-Toluolsulfonylfluorid PMSF para-toluenesulfonyl fluoride 4-TOLUENESULFONYL FLUORIDE PMSF/苯甲基磺酰氟化物 {un P p-Toluolsulfofluorid 4-Toluensulfonyl fluoride, GC 98% 4-Methylbenzenesulfonyl fluo 对甲苯磺酰氟 Tosylfluorid 4-TOLUENESULONYLCHLORIDE p-Toluenesulfonyl fluoride p-Methylbenzenesulfonyl fluoride p-tolue p-methylphenylsulfonylfluoride {Chem
EC Number207-238-6
Beilstein Registry Number2208423
PubChem Substance ID9965
Chemical Name Translation4-甲基苯磺酰氟
Wiswesser Line NotationWSFR D1
InChIInChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKeyIZZYABADQVQHLC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00226059
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分类

  • {SNA} Building Blocks, Building Blocks for SuFEx: The Next Click Reaction, Chemical Synthesis, Mono-Functionalized Sulfonyl Fluorides, Organic Building Blocks, Sulfonyl Halides, Sulfur Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Sulfonyl Fluorides, Sulfonyl Halides, Sulfur Compounds

相关文献及参考

  • Short: II/2 Title: Magnetic Properties of Coordination and Organometallic Transition Metal Compounds Author: König, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/2 Year: 1966 ISBN: 3-540-03593-1 ISBN: 978-3-540-03593-0 Internet Resource: DOI:10.1007/b19948 RefComment: 170 figs., XII, 578 pages. Hardcover Abstract: The data compiled refer to susceptibility measurements (susceptibility, Curie-constants, magnetic moments, transition temperatures) and ESR-measurements (g-factors and other parameters of the applied spin Hamiltonian). In volume II/2 the literature from 1899 up to 1964 has been considered. Volume II/8 supplements volume II/2, taking into account the data on magnetic susceptibilities and ESR parameters published in the p eriod 1964 to 1968. The following subvolumes II/10,II/11, II/12 supplement data up to 1974.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e
  • For sulfonylation of organometallic reagents as a simple, one-step synthesis of sulfones, see: J. Org. Chem., 57, 697 (1992):

安全信息

Warnings MOISTURE SENSITIVE, CORROSIVE
RTECSXT8050000
Safety Statements
  • 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）；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
UN Number UN 3261 8/PG 2 UN3261
Risk Statements
  • R34 Causes burns 会导致灼伤
  • 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
  • R25 Toxic if swallowed 吞咽有毒
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
Storage condition Moisture Sensitive 2-8°C
GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Precautionary statements
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P305+P351+P338
Signal word Danger
Packing GroupII
Hazard Codes C F,T,C
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 173,33,1954

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,1,1953

其他信息

  • 图谱信息:苯甲基磺酰氟(329-98-6)核磁图( 1 HNMR) 苯甲基磺酰氟(329-98-6)红外图谱(IR1) 苯甲基磺酰氟(329-98-6)核磁图( 13 CNMR) 苯甲基磺酰氟(329-98-6)质谱(MS)
  • MSDS 信息:Benzenemethanesulfonyl fluoride(329-98-6).msds
  • Sigma Aldrich:329-98-6(sigmaaldrich)
  • 对甲基苯磺酰氟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 152380050 对甲基苯磺酰氟 p-Toluenesulfonyl fluoride 97% 5 GR 361元 2010/06/21 152380250 对甲基苯磺酰氟 p-Toluenesulfonyl fluoride 97% 25 GR 1048元 2010/05/25 L12204 对甲苯磺酰氟, 98% p-Toluenesulfonyl fluoride, 98% 5g 287元
  • F:3-10-21
  • TSCA:T
  • MOL 文件:455-16-3.mol
  • Hazard Note:Highly Toxic/Corrosive
  • Alfa Aesar:苄磺酰氟,99% alpha-Toluenesulfonyl fluoride, 99%(329-98-6)
  • TCI Shanghai:苄基磺酰氟 Benzylsulfonyl Fluoride,>;98.0%(GC)(329-98-6)
  • Alfa Aesar:对甲苯磺酰氟,98% p-Toluenesulfonyl fluoride, 98%(455-16-3)
  • 图谱信息:对甲基苯磺酰氟(455-16-3)核磁图( 13 CNMR) 对甲基苯磺酰氟(455-16-3)核磁图( 1 HNMR) 对甲基苯磺酰氟(455-16-3)质谱(MS) 对甲基苯磺酰氟(455-16-3)红外图谱(IR1) 对甲基苯磺酰氟(455-16-3)红外图谱(IR2)
  • Acros Organics:PMSF/苯甲基磺酰氟化物 alpha-Toluenesulfonyl fluoride, 99%(329-98-6)
  • Hazard Note:Corrosive
  • 苯甲基磺酰氟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw020003 苯甲基磺酰氟（PMSF） 5g 260元 2011/08/23 K7883001 苯甲基磺酰氟 1g 557元 2011/08/23 SP762601 苯甲基磺酰氟 250mg 461元
  • 外观性质:白色至微黄色粉末。难溶于水，且在水溶液中非常不稳定，容易分解。可溶于异丙醇、乙醇、甲醇、二甲苯和石油醚。熔点：90-94℃
  • MOL 文件:329-98-6.mol
  • 敏感性:Moisture Sensitive
  • Acros Organics:对甲基苯磺酰氟 p-Toluenesulfonyl fluoride, 97%(455-16-3)
  • Sigma Aldrich:455-16-3(sigmaaldrich)
  • 用途一:可抑制丝氨酸蛋白酶例如胰蛋白酶(trypsin)和胰凝乳蛋白酶(chymotrypsin)，也可抑制半胱氨酸蛋白酶和乙酰胆碱酯酶。有效浓度为0.1-1mM。

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. Sulfur Compounds 硫化合物
  5. Sulfonyl Halides - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonyl Halides - Sulfur Compounds
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Analytical Enzymes - Enzymes, Inhibitors, and Substrates
  5. Subtilisin - Analytical Enzymes
  6. Inhibitors - Subtilisin
  1. Analytical & Chromatography 分析化学与色谱
  2. Syringes
  3. GC Manual Syringes - Syringes
  4. Liquid sampling - GC Manual Syringes
  5. Standard syringe, 5-500 µL - Liquid sampling
  6. Hamilton Microliter™ Syringes, 700 Series - Standard syringe, 5-500 µL
  7. 700 Series, SN (Special Needle) - Hamilton Microliter™ Syringes, 700 Series
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Type - Enzyme Inhibitors
  6. Organic Covalent Modifiers - Enzyme Inhibitors by Type
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonates/Sulfinates - Sulfur Compounds
  1. sulfonyl halide
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Dry Powder Media
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteins and Derivatives
  4. Plasma & Blood Proteins
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Analytical Enzymes
  5. Subtilisin
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Analytical Enzymes
  5. Trypsin
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Thermolysin
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Topoisomerase II
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Type
  6. Chelators
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Protease Inhibitors
  6. Protease Inhibitor Specificity Index
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Proteolytic Enzymes and Substrates
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Proteolytic Enzymes and Substrates
  5. Protease Inhibitors
  6. Protease Inhibitor Specificity Index
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Signal Transduction Research Tools
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Signal Transduction Research Tools
  5. Protease Inhibitors
  6. Protease Inhibitor Specificity Index
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Dopamine beta-hydroxylase
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. PARP Poly(ADP-ribose) Polymerase
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Phospholipase D
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteomics
  4. Native Protein Sample Preparation
  5. Cell Lysis and Protein Extraction Reagents
  6. Protein Sample Clarification
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Metalloproteinase Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Proteolytic Enzymes and Substrates
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Metalloproteinase Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Proteolytic Enzymes and Substrates
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Signal Transduction Research Tools
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Metalloproteinase Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Signal Transduction Research Tools
  5. Protease Inhibitors
  6. Broad Spectrum Inhibitors of Proteolytic Enzyme Classes
  7. Serine Protease Inhibitors

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