4-Methylbenzenesulfonyl fluoride 4-甲基苯磺酰氟
CAS 455-16-3 MFCD00007421
化学结构图
SMILES: Cc1ccc(S(=O)(=O)F)cc1
化学属性
| Mol. Formula | CH3C6H4SO2F |
|---|---|
| Mol. Weight | 174.19 |
| Boiling Point | 112 °C/16 mmHg(lit.) |
| Melting Point | 41-42 °C(lit.) |
| TSCA | Yes |
| Flash Point | 105°(221°F) |
| Solubility | dry solvents (ethanol, methanol, and 2-propanol): 200 mM Stock solution are stable for months at 4°C. |
| Density | 0.797 g/mL at 20 °C |
别名和识别编码
| Chemical Name | 4-Methylbenzenesulfonyl fluoride |
|---|---|
| CAS Number | 455-16-3 |
| Alfabeta Name | TOLUENESULFONYLFLUORIDE 4- |
| MDL Number | MFCD00007421 |
| 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 Number | 207-238-6 |
| Beilstein Registry Number | 2208423 |
| PubChem Substance ID | 9965 |
| Chemical Name Translation | 4-甲基苯磺酰氟 |
| Wiswesser Line Notation | WSFR D1 |
| InChI | InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3 |
| InChIKey | IZZYABADQVQHLC-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00226059 |
信息真实价格透明
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信息真实价格透明
资金保障
专业采购外包团队在线服务
品牌质保精细包装
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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
- 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；
- 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
GHS Symbol
- 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
- 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
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。
