跳转至内容
Merck
所有图片(1)

主要文件

查看所有文档

295035

Sigma-Aldrich

1,3-丁二烯

≥99%

别名:

Bivinyl, Vinylethylene, alpha,gamma-Butadiene

登录查看公司和协议定价
所有图片(1)

About This Item

线性分子式:
CH2=CHCH=CH2
CAS号:
106-99-0
分子量:
54.09
Beilstein:
605258
EC 号:
203-450-8
MDL编号:
MFCD00008659
UNSPSC代码:
12142100
PubChem化学物质编号:
24857754
NACRES:
NA.22

蒸汽密度

1.9 (15 °C, vs air)

质量水平

100

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

密度

0.62 g/mL at 20 °C (lit.)

储存温度

2-8°C

SMILES字符串

C=CC=C

InChI

1S/C4H6/c1-3-4-2/h3-4H,1-2H2

InChI key

KAKZBPTYRLMSJV-UHFFFAOYSA-N

正在寻找类似产品? 访问 产品对比指南

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. Mechanism of Diels-Alder reaction of 1,3-butadiene with ethylene has been investigated.
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.
1,3-Butadiene is a useful diene for Diels Alder reaction.
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.
  • Synthetic rubber and thermoplastic resins.
  • Disilylated dimers by reacting with chlorosilanes.
  • Octa-2,7-dien-1-ol via palladium catalyzed-hydrodimerization.

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. Carcinogenicity induced by inhaled 1,3-butadiene has been investigated in C57BL/6 x C3H F1 mice.

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

推荐

产品编号
说明
价格

调节阀

产品编号
说明
价格

软管倒钩

产品编号
说明
价格

Z146811

Hose adapter, brass

通常也和此产品一起购买

产品编号
说明
价格

警示用语：

Danger

危险声明

H220,H280,H340

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
SHBR5785
SHBQ7599
SHBP3942
SHBM7088
SHBK2299

没有发现合适的版本？

如果您需要特殊版本，可通过批号或批次号查找具体证书。

搜索COA

已有该产品？

在文件库中查找您最近购买产品的文档。

访问文档库

Useful diene for the Diels-Alder reaction.
Danishefsky S and Kitahara T.
Journal of the American Chemical Society, 96(25), 7807-7808 (1974)
Selective catalytic hydrodimerization of 1, 3-butadiene by palladium compounds dissolved in ionic liquids.
Dullius JEL, et al.
Organometallics, 17(5), 815-819 (1998)
Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1, 3-butadiene: Mechanistic studies of four-component coupling and competing cross-coupling reactions.
Iwasaki T, et al.
Chemical Science (2018)
J E Huff et al.
Science (New York, N.Y.), 227(4686), 548-549 (1985-02-01)
Groups of 50 male and 50 female B6C3F1 mice were exposed 6 hours per day, 5 days per week, for 60 to 61 weeks to air containing 0, 625, or 1250 parts per million 1,3-butadiene. These concentrations are somewhat below
Carcinogenicity of 1,3-butadiene in C57BL/6 x C3H F1 mice at low exposure concentrations.
Melnick RL, et al.
Cancer Research, 50, 6592- 6599 (1990)
查看所有相关文献

商品

Diels–Alder Reaction

The Diels–Alder reaction is the reaction between a conjugated diene and an alkene (dienophile) to form unsaturated six-membered rings. It is also referred to as a cycloaddition.

Diels–Alder Reaction

The Diels–Alder reaction is the reaction between a conjugated diene and an alkene (dienophile) to form unsaturated six-membered rings. It is also referred to as a cycloaddition.

Diels–Alder Reaction

The Diels–Alder reaction is the reaction between a conjugated diene and an alkene (dienophile) to form unsaturated six-membered rings. It is also referred to as a cycloaddition.

Diels–Alder Reaction

The Diels–Alder reaction is the reaction between a conjugated diene and an alkene (dienophile) to form unsaturated six-membered rings. It is also referred to as a cycloaddition.

我们的科学家团队拥有各种研究领域经验，包括生命科学、材料科学、化学合成、色谱、分析及许多其他领域.

联系客户支持