1,4-Diphenylbutadiyne 1，4-二苯基丁二炔
CAS 886-66-8 MFCD00004787
化学结构图
SMILES: C(C#Cc1ccccc1)#Cc1ccccc1
化学属性
| Mol. Formula | C16H10 |
|---|---|
| Mol. Weight | 202.26 |
| Melting Point | 86-87 °C |
| TSCA | Yes |
| Boiling Point | 210 °C at 3 mmHg |
别名和识别编码
| Chemical Name | 1,4-Diphenylbutadiyne |
|---|---|
| Synonym | 1,4-Diphenylbuta-1,3-diyne {LY} 1,4-Diphenylbuta-1,3-diyne 1,4-diphenylbutadiyne 1,4-diphenylbutadiyne, ion (1+) {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta-1,3-diyne {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Diphenylbuta- |
| MDL Number | MFCD00004787 |
| CAS Number | 886-66-8 |
| PubChem Substance ID | 70174 |
| EC Number | 212-953-1 |
| Beilstein Registry Number | 1910105 |
| Reaxys-RN | 1910105 |
| Chemical Name Translation | 1，4-二苯基丁二炔 |
| InChIKey | HMQFJYLWNWIYKQ-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01061276 |
| InChI | InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H |
| Canonical SMILES | C1(C#CC#CC2=CC=CC=C2)=CC=CC=C1 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {SNA} Alkynes, Building Blocks, Chemical Synthesis, Internal, Organic Building Blocks
产品应用
- 1,4-Diphenylbutadiyne was used in the preparation of 7,8-dehydropurpurin dimers via two-fold Pd-catalyzed [3+2] annulation of meso-bromoporphyrin.
相关文献及参考
- Short: II/27B
- Short: II/27C
- Beilstein:5(4)2462
安全信息
GHS Symbol
- 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
- P305+P351+P338+P337+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。
- 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.....
- 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
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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；
- S37 Wear suitable gloves 戴适当手套；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- TCI Shanghai:1,4-二苯基丁二炔 1,4-Diphenylbutadiyne,>;98.0%(GC)(886-66-8)
- Alfa Aesar:1,4-联苯基丁二炔,99% 1,4-Diphenylbutadiyne, 99%(886-66-8)
- 图谱信息:1，4-二苯基丁二炔(886-66-8)核磁图( 1 HNMR) 1，4-二苯基丁二炔(886-66-8)质谱(MS) 1，4-二苯基丁二炔(886-66-8)红外图谱(IR1) 1，4-二苯基丁二炔(886-66-8)红外图谱(IR2) 1，4-二苯基丁二炔(886-66-8)核磁图( 13 CNMR)
- Sigma Aldrich:886-66-8(sigmaaldrich)
- MOL 文件:886-66-8.mol
- 1，4-二苯基丁二炔价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2789 1,4-二苯基丁二炔 1,4-Diphenylbutadiyne 5G 902元 2014/06/02 D2789 1,4-二苯基丁二炔 1,4-Diphenylbutadiyne 25G 2800元 2010/05/25 A13471 1,4-联苯基丁二炔, 99% 1,4-Diphenylbutadiyne, 99% 25g 3052元
- 1,4-Diphenylbutadiyne reacts with [WI2(CO)3(NCMe)2] in CH2Cl2 to give the iodo-bridged dimer [W(μ-I)I(CO)(NCMe)(η2PhC2C2Ph)]2.1,4-Diphenylbutadiyne on UV irradiation with olefins such as 2,3-dimethyl-2-butene, 1,4-cyclohexadiene and dimethyl fumarate yields cross-cycloaddition products.
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