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Merck
CN

295035

Sigma-Aldrich

1,3-丁二烯

≥99%

别名:

Bivinyl, Vinylethylene, alpha,gamma-Butadiene

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About This Item

线性分子式:
CH2=CHCH=CH2
CAS Number:
分子量:
54.09
Beilstein:
605258
EC 号:
MDL编号:
UNSPSC代码:
12142100
PubChem化学物质编号:
NACRES:
NA.22

蒸汽密度

1.9 (15 °C, vs air)

质量水平

蒸汽压

1863 mmHg ( 21 °C)

方案

≥99%

自燃温度

788 °F

包含

p-tert-butylcatechol as inhibitor

expl. lim.

12 %

沸点

−4.5 °C (lit.)

mp

−109 °C (lit.)

溶解性

water: soluble 0.5 g/L at 20 °C

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相关类别

一般描述

1,3-Butadiene (BD) is a simplest conjugated diene. It is a colorless gas that turns to liquid easily. The vapor phase conversion of ethanol in the presence of Cr-Ba/MCM-41 (mesoporous silica molecular sieve) catalyst reported a yield of 25% of BD. It is also formed as a coproduct of ethylene production.[1] Mechanism of Diels-Alder reaction of 1,3-butadiene with ethylene has been investigated.[2]
May contain up to 4% dimer impurity.

应用

1,3-Butadiene can undergo a four-component coupling reaction with aryl Grignard reagents, and alkyl fluorides in the presence of nickel catalyst to form 1,6-octadiene carbon compound substituted with alkyl and aryl groups at the 3- and 8-positions.[3]
1,3-Butadiene is a useful diene for Diels Alder reaction.[4]
It may be used in the synthesis of the following:
  • 1-Silyl-substituted 1,3-butadienes, by [RuHCl(CO)(PCy3)2]-catalyzed silylative coupling of terminal (E)-1,3-dienes with vinylsilanes.[5]
  • Synthetic rubber and thermoplastic resins.[1]
  • Disilylated dimers by reacting with chlorosilanes.[6]
  • Octa-2,7-dien-1-ol via palladium catalyzed-hydrodimerization.[7]

生化/生理作用

环境致癌物。可诱导小鼠的心脏血管肉瘤。
1,3-Butadiene has been reported to induce hemangiosarcomas of the heart, malignant lymphomas, alveolar-bronchiolar neoplasms, squamous cell neoplasms of the forestomach in males and female mice. It also induced acinar cell carcinomas of the mammary gland, granulosa cell neoplasms of the ovary, and hepatocellular neoplasms in female mice.[5] Carcinogenicity induced by inhaled 1,3-butadiene has been investigated in C57BL/6 x C3H F1 mice.[8]

包装

Supplied in a Sure/Pac cylinder and has a brass needle valve with a male 1/4" NPTF outlet thread installed. Before using the cylinder, ensure that the valve is closed, then remove the galvanized steel hex cap that seals the outlet valve.

Compatible with the following:

法律信息

Aldrich is a registered trademark of Sigma-Aldrich Co. LLC
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC

警示用语:

Danger

危险声明

危险分类

Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas

储存分类代码

2A - Gases

WGK

WGK 3

闪点(°F)

-104.8 °F - closed cup

闪点(°C)

-76 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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