295035
1,3-丁二烯
≥99%
别名:
Bivinyl, Vinylethylene, alpha,gamma-Butadiene
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
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:
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:
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)
法规信息
监管及禁止进口产品
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
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)
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)
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)
商品
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