Phenylacetylene 苯乙炔

CAS 536-74-3 MFCD00008570

化学结构图

536-74-3
SMILES: C#CC1CCCCC1

化学属性

Mol. FormulaC8H6
Mol. Weight102
Refractive index1.5470 to 1.5510
Boiling Point142°C
Vapor Pressure17.6 mmHg ( 37.7 °C)
Density0.93
Flash Point27°C(lit.)
TSCAYes
Melting Point-44.8°C
Solubility不溶于水，可混溶于醇、醚等多数有机溶剂。
Stability对热和光线敏感
pH-:A
Danger-Level-
Redox-

别名和识别编码

Chemical NameEthynylbenzene
MDL NumberMFCD00008570
CAS Number536-74-3
Synonym Benzene,ethynyl- Ethynylbenzene ethynylbenzene phenyl-acetylene phenylacetylene phenylethyne
PubChem Substance ID10821
EC Number208-645-1
Beilstein Registry Number5,511
Merck Number3861
Chemical Name Translation苯乙炔
Reaxys-RN605461
Wiswesser Line Notation1UU1R
LabNetwork Molecule IDLN00220511
InChIInChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
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分类

  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

产品应用

  • 用于有机合成。

相关文献及参考

  • For conversion to the Grignard with ethylmagnesium bromide, and subsequent Cu-catalyzed coupling with allyl bromide, see: Org. Synth. Coll., 6, 925 (1988).
  • For cyanation with CuCN in the presence of TMS chloride and NaI, see: Tetrahedron Lett., 34, 591 (1993).
  • Glaser oxidative coupling by Cu(OAc)2 in pyridine gives diphenylbuta-1,3-diyne: Org. Synth. Coll., 5, 499 (1973).
  • Merck:14,3861 Beilstein:5,511
  • Dimetallation can be accomplished with a 2:1 molar mixture of n-BuLi and KO-t-Bu in THF, the second metallation occurring specifically at the ortho-position. Thus, the bis(TMS)-derivative can be prepared in excellent yield: J. Org. Chem., 55, 1311 (1990).
  • Merck:14,3861
  • For preparation of the cuprate and references for coupling with aryl halides to give diarylacetylenes, see: Org. Synth. Coll., 6, 916 (1988).
  • Conversion to the 1-bromoalkyne has been described: Org. Synth. Coll., 5, 921 (1973). For an improved phase-transfer method, using NaBr/NaOCl, see: J. Org. Chem., 57, 4555 (1992).

安全信息

WGK Germany3
RTECSDA0780000
Packing GroupIII
UN Number 3295
Risk Statements
  • R10 Flammable 易燃
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
Safety Statements
  • 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；
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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）；
Storage condition 0-10 0-10°C 2-8°C Light Sensitive 储存温度2-8℃ 对光敏感，2-8°C 避光保存
GHS Symbol
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • 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
  • H351 Suspected of causing cancer 怀疑致癌
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P310+P331
  • P301+P316
  • P301+P330+P331
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • 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。
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P331 Do NOT induce vomiting.. 不要催吐。
  • 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
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes
Hazard Class3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04866

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis)
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Blood - hemorrhage
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 19,403,1959

Restrict -

其他信息

  • 毒性分级:中毒
  • 用途一:用作医药中间体
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放; 不宜久储, 以防聚合
  • 急性毒性:口服- 大鼠 LDL0: 4648 毫克/ 公斤
  • 下游产品:4-苯基乙炔基邻苯二甲酸酐 --> 二苯基乙炔 --> 4-苯基哌啶 --> 聚对苯乙炔 --> 聚苯(III) --> 反式-BETA-苯乙烯硼酸
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 检测方法:GC,NMR
  • MSDS 信息:苯乙炔(536-74-3).msds
  • 敏感性:Light Sensitive
  • 苯乙炔价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 A11770601 苯乙炔;乙炔苯 25ml 475元 2011/08/23 K7784001 苯乙炔;乙炔苯 25ml 463元 2011/04/16 E0196 苯乙炔 Ethynylbenzene 25ML 420元
  • F:8-19
  • 类别:易燃液体
  • TCI Shanghai:苯乙炔 Ethynylbenzene,>;97.0%(GC)(536-74-3)
  • 图谱信息:苯乙炔(536-74-3)核磁图( 1 HNMR) 苯乙炔(536-74-3)质谱(MS) 苯乙炔(536-74-3)核磁图( 13 CNMR)
  • MOL 文件:536-74-3.mol
  • Sigma Aldrich:536-74-3(sigmaaldrich)
  • Alfa Aesar:苯乙炔,98+% Phenylacetylene, 98+%(536-74-3)
  • Acros Organics:苯乙炔 Phenylacetylene, pure, 98%(536-74-3)
  • 蒸气压:17.6 mm Hg ( 37.7 °C)
  • 方法一:将β-溴苯乙烯滴加到熔融的氢氧化钾中，生成的苯乙炔从反应物中蒸馏出来。馏出物分层，上层为水层。将油层干燥、蒸馏，即得苯乙炔。
  • 上游原料:beta-溴苯乙烯
  • 存储注意事项:湿度敏感
  • 用途二:用于有机合成。
  • 外观性质:无色液体。
  • 无色液体,与醇、醚和其它有机溶剂混溶，不溶于水。
  • 可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾

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. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Terminal - Alkynes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Internal
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃

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