295035

1,3-丁二烯

≥99%

• 同義詞: Bivinyl, Vinylethylene, alpha,gamma-Butadiene
• 線性公式: CH₂=CHCH=CH₂
• CAS號碼: 106-99-0
• 分子量：: 54.09
• Beilstein: 605258
• EC號碼: 203-450-8
• MDL號碼: MFCD00008659
• 分類程式碼代碼: 12142100
• PubChem物質ID: 24857754
• NACRES: NA.22

屬性

• 蒸汽密度: 1.9 (15 °C, vs air)
• 品質等級: 100
• 蒸汽壓力: 1863 mmHg ( 21 °C)
• 化驗: ≥99%
• 自燃溫度: 788 °F
• 包含: p-tert-butylcatechol as inhibitor
• expl. lim.: 12 %
• bp: −4.5 °C (lit.)
• mp: −109 °C (lit.)
• 溶解度: water: soluble 0.5 g/L at 20 °C
• 密度: 0.62 g/mL at 20 °C (lit.)
• 儲存溫度: 2-8°C
• SMILES 字串: C=CC=C
• InChI: 1S/C4H6/c1-3-4-2/h3-4H,1-2H2
• InChI 密鑰: KAKZBPTYRLMSJV-UHFFFAOYSA-N

描述

一般說明

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.

應用

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

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。

包裝

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

法律資訊

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

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

安全資訊

• 象形圖: GHS02,GHS04,GHS08
• 訊號詞: Danger
• 危險聲明: H220,H280,H340
• 防範說明: P202 - P210 - P280 - P308 + P313 - P377 - P410 + P403
• 危險分類: Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas
• 儲存類別代碼: 2A - Gases
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: -104.8 °F - closed cup
• 閃點（°C）: -76 °C - closed cup
• 個人防護裝備: Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)