295035

1,3-ブタジエン

≥99%

• 別名: Bivinyl, Vinylethylene, alpha,gamma-Butadiene
• 化学式: CH₂=CHCH=CH₂
• CAS番号: 106-99-0
• 分子量: 54.09
• Beilstein: 605258
• EC Number: 203-450-8
• MDL番号: MFCD00008659
• UNSPSCコード: 12142100
• PubChem Substance ID: 24857754
• NACRES: NA.22

特性

• 蒸気密度: 1.9 (15 °C, vs air)
• 品質水準: 100
• 蒸気圧: 1863 mmHg ( 21 °C)
• アッセイ: ≥99%
• 自己発火温度: 788 °F
• 含みます: p-tert-butylcatechol as inhibitor
• expl. lim.: 12 %
• bp: −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.)
• 保管温度: 2-8°C
• SMILES記法: C=CC=C
• InChI: 1S/C4H6/c1-3-4-2/h3-4H,1-2H2
• InChI Key: KAKZBPTYRLMSJV-UHFFFAOYSA-N

詳細

詳細

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.

アプリケーション

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.

生物化学的／生理学的作用

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.

環境発癌物質。マウスにおいて心臓血管肉腫を誘発します。

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:

• Aldrich^® Sure/Pac^™ station for liquefied gases Z566446
• PTFE Sealing tape Z104388 or Z221880
• Brass hose adapter Z146811
• Aldrich^® mini gas regulator Z513539

法的情報

Aldrich is a registered trademark of Sigma-Aldrich Co. LLC

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

安全性情報

• ピクトグラム: GHS02,GHS04,GHS08
• シグナルワード: Danger
• 危険有害性情報: H220,H280,H340
• 注意書き: P202 - P210 - P280 - P308 + P313 - P377 - P410 + P403
• 危険有害性の分類: Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas
• 保管分類コード: 2A - Gases
• WGK: WGK 3
• 引火点(°F): -104.8 °F - closed cup
• 引火点(℃): -76 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)