295035
1,3-丁二烯
≥99%
别名:
Bivinyl, Vinylethylene, alpha,gamma-Butadiene
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关于此项目
线性分子式:
CH2=CHCH=CH2
化学文摘社编号:
分子量:
54.09
UNSPSC Code:
12142100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-450-8
Beilstein/REAXYS Number:
605258
MDL number:
Assay:
≥99%
vapor density
1.9 (15 °C, vs air)
Quality Segment
vapor pressure
1863 mmHg ( 21 °C)
assay
≥99%
autoignition temp.
788 °F
contains
p-tert-butylcatechol as inhibitor
expl. lim.
12 %
bp
−4.5 °C (lit.)
mp
−109 °C (lit.)
solubility
water: soluble 0.5 g/L at 20 °C
density
0.62 g/mL at 20 °C (lit.)
storage temp.
2-8°C
SMILES string
C=CC=C
InChI
1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
General description
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.
Application
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.
Biochem/physiol Actions
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.
环境致癌物。可诱导小鼠的心脏血管肉瘤。
Packaging
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:
Legal Information
Aldrich is a registered trademark of Sigma-Aldrich Co. LLC
Sure/Pac is a trademark of Sigma-Aldrich Co. LLC
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Danger
存储类别
2A - Gases
flash_point_f
-104.8 °F - closed cup
flash_point_c
-76 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)
hcodes
Hazard Classifications
Carc. 1A - Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas