o-Xylylenebis(triphenylphosphonium bromide) (1,2-亚苯基双(亚甲基))双(三苯基鏻)溴化物

CAS 1519-46-6 MFCD00044843

化学结构图

1519-46-6
SMILES: [Br-].c1ccc([P+](Cc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

化学属性

Mol. FormulaC44H38Br2P2
Mol. Weight788.53
Melting Point>300 °C
TSCANo
Flash Point180 °F
Boiling Point216-217 °C742 mm Hg(lit.)
Solubilitypractically insoluble
Refractive indexn20/D 1.575(lit.)
Density1.381 g/mL at 25 °C(lit.)

别名和识别编码

Chemical Name(1,2-Phenylenebis(Methylene))Bis(Triphenylphosphonium) Bromide
Synonym (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(triphenylphosphonium) bromide {} {} {} {} {} {} {} {} {} {} {LY} (1,2-Phenylenebis(methylene))bis(tripheny
MDL NumberMFCD00044843
PubChem Substance ID2753326
CAS Number1519-46-6
EC Number216-183-7
Beilstein Registry Number4121635
Chemical Name Translation(1,2-亚苯基双(亚甲基))双(三苯基鏻)溴化物
Merck Number14,10090
InChIKeyAVJCQNVMVDLXPS-UHFFFAOYSA-N
LabNetwork Molecule IDLN01065116
InChIInChI=1S/C44H38P2.2BrH/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
Canonical SMILESC1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]
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分类

  • {SA} C-C Bond Formation, Chemical Synthesis, Olefination, Synthetic Reagents, Wittig Reagents
  • {SNA} C-C Bond Formation, Chemical Synthesis, Olefination, Synthetic Reagents, Wittig Reagents

相关文献及参考

  • 1. B. Esser, et al., Chem. Eur. J. 15 , 3368-3379, (2009) 摘要
  • 2. K. Tanaka, et al., Eur. J. Org. Chem. 10 , 2423-2428, (2006)
  • 3. W. Lu, et al., Inorg. Chem. 44 , 7970-7980, (2005)
  • 4. N. Basaric, et al., Photochem. Photobiol. 1 , 1017-1023, (2002)
  • 5. F. Breitsameter, et al., Chem. Eur. J. 6 , 3531-3539, (2000)
  • 6. M. Sindler-Kulyk, et al., Heterocycles 51 , 1355-1369, (1999)
  • FT-IR 2 (2), 3336:D / IR-Spectra (3), 1185:D / IR-Spectra (2), 1032:C / Structure Index 1 , 356:D:7
  • For use in the phase-transfer catalyzed synthesis of polycyclic hydrocarbons by the bis-Wittig reaction with dialdehydes, see: Synthesis, 497 (1983). For a review of the bis-Wittig reaction in the synthesis of non-benzenoid aromatic ring-systems, see: Synthesis, 765 (1975). See Appendix 1.

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
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes C Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • 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）；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • 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
Storage condition Store at room temperature, keep dry and cool {LY} Store at room temperature, keep dry and cool {} {LY} Store at room temperature, keep dry and cool {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store
Packing GroupII
Hazard Class6.1
UN Number UN 1701 6.1/PG 2
RTECSCY9039100

其他信息

  • F:19
  • MOL 文件:89-92-9.mol
  • TCI Shanghai:2-甲基苄溴 alpha-Bromo-o-xylene,>;95.0%(GC)(89-92-9)
  • Acros Organics:alpha-溴邻二甲苯 alpha-Bromo-o-xylene, 94%(89-92-9)
  • MSDS 信息:甲基苄基溴(89-92-9).msds
  • 下游产品:2-甲基苄胺 --> 双(MSB) --> 2-甲基苯基甲烷磺酰氯
  • 海关编码:29036990
  • 外观性质:无色液体。
  • 2-甲基苄溴价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1004 α-溴-邻二甲苯 alpha-Bromo-o-xylene 500G 3260元 2014/06/02 B1004 α-溴-邻二甲苯 alpha-Bromo-o-xylene 25G 380元 2010/06/21 107550250 2-甲基苄溴 alpha-Bromo-o-xylene 94% 25 ML 592元
  • 图谱信息:2-甲基苄溴(89-92-9)核磁图( 1 HNMR) 2-甲基苄溴(89-92-9)核磁图( 13 CNMR) 2-甲基苄溴(89-92-9)质谱(MS) 2-甲基苄溴(89-92-9)红外图谱(IR1)
  • Alfa Aesar:2-甲基苯甲基溴,98+% 2-Methylbenzyl bromide, 98%(89-92-9)
  • 检测方法:GC,NMR
  • Sigma Aldrich:89-92-9(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Olefination - C-C Bond Formation
  5. Wittig Reagents - Olefination
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-C Bond Formation - Synthetic Reagents
  4. Olefination - C-C Bond Formation
  5. Wittig Reagents - Olefination

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