furan

• ChemBase编号: 103281
• 分子式: C4H4O
• 平均质量: 68.07396
• 单一同位素质量: 68.02621475
• SMILES: o1cccc1
• Canonical SMILES: c1ccco1
• InChI: InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
• InChIKey: YLQBMQCUIZJEEH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furan
• IUPAC系统名: oxole; 5-oxacyclopenta-1,3-diene; 5-oxacyclo-1,3-pentadiene; 1,4-epoxybuta-1,3-diene; 1,4-epoxy-1,3-butadiene
• IUPAC传统名: furan
• 别名: 呋喃; Furfuran; Divinylene oxide; tetrole oxide; FURAN; furane (misspelling); Furan

登记号

• CAS号: 110-00-9
• EC号: 203-727-3
• MDL号: MFCD00003222
• Beilstein号: 103221
• 默克索引号: 144296
• PubChem SID: 24851189; 162102895
• PubChem CID: 8029
• CHEBI ID: 35559
• CHEMBL: 278980
• Chemspider ID: 7738
• KEGG ID: C14275
• 维基百科标题: Furan

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.1134913
• LogD (pH = 7.4): 1.1134913
• Log P: 1.1134913
• 摩尔折射率: 18.5714 cm^3
• 极化性: 7.190736 Å^3
• 极化表面积: 13.14 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: colorless, volatile liquid
• 熔点: -85.6 °C; -85.6 °C; -86°C
• 沸点: 31.3 °C; 32 °C; 32 °C/758 mmHg(lit.); 32-33°C
• 闪点: -32.8 °F; -35 °C (closed cup); -35°C(-31°F); -36 °C; -69 °C
• 自燃点: 390 °C
• 密度: 0.936; 0.936 g/ml; 0.936 g/mL; 0.936 g/mL at 25 °C(lit.)
• 折射率: 1.4220; n20/D 1.421; n20/D 1.421(lit.)
• 蒸汽压: 1672 mmHg ( 55 °C); 31.66 psi ( 55 °C); 493 mmHg ( 20 °C); 493 mmHg at 20 °C; 9.22 psi ( 20 °C)
• 蒸汽密度: 2.35 (Air = 1); 2.35 (vs air)

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Air & Light Sensitive
• RTECS编号: LT8524000
• 欧盟危险性物质标志: 高度易燃性(Highly flammable) (F+); 有毒(Toxic) (T)
• 联合国危险货物编号: 2389; UN2389
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 1; I
• 澳大利亚Hazchem: 3WE
• 危险公开号: 45-12-19-20/22-38-48/22-52/53-68; 45-12-19-20/22-38-48/22-68-52/53; R:12-30-45; R26/27/28, R45
• 安全公开号: 53-45-61; S:15-29-36/37/39-46-53; S16, S37, S45, S28
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3A
• 美国ERG指导号: 127
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  4

  3

  1
• 半数致死量: rat > 2g/kg
• 爆炸极限: 14.3 %; Lower:2.3%, upper:14.3% @ 20 °C
• GHS危险声明: H224-H302-H315-H331-H341-H350-H373-H412; H224-H350-H341-H373-H302-H332-H315-H412
• GHS警示性声明: P201-P210-P261-P273-P281-P311; P210-P241-P260-P303+P361+P353-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2389 3/PG 1
• 欧盟补充危害声明: May form explosive peroxides.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99%; ≥98.0% (GC); ≥99%; ≥99.0% (GC); 98%; 99%, stab. with ca 250ppm BHT
• 级别: analytical standard; purum
• 其他组分: ~0.025% 2,6-di-tert-4-methylphenol as stabilizer; ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer; 0.025 wt. % BHT as inhibitor
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C4H4O

详细说明

MP Biomedicals - 02151175

Purity: 99+%
1 ml = approx. 0.94 gm
NOT FOR EXPORT

Sigma Aldrich - 185922

包装
5, 100, 500 mL in glass bottle

Sigma Aldrich - F19558

包装
500 mL in glass bottle

参考文献

• Diels-Alder cycloadditions of furans with reactive dienophiles, followed by dehydration of the resulting 7-oxabicyclo[2.2.1]heptenes generate benzenes, often with unusual substitution patterns; review: Heterocycles, 22, 875 (1984). Adducts of furans with alkynes can be deoxygenated to give aromatics, by reduction with a low-valent Ti reagent: Synthesis, 787 (1984).
• Lithiation occurs at the 2-position. For the formation of furfuryl propargyl ethers and their subsequent base catalyzed intramolecular Diels-Alder cyclization to isobenzofuran derivatives, see: J. Org. Chem., 60,6168 (1995). 2,5-Dilithiation can be effected with n-BuLi - TMEDA: J. Chem. Soc., Perkin 1, 887 (1977), or n-BuLi - KO-t-Bu: Synthesis, 316 (1988). A Barbier-type reaction has been reported in which furan is reacted with a lithium carboxylate in the presence of Li metal and t-butyl chloride with sonication: J. Org. Chem., 60, 8 (1995), providing an easy access to 2-furyl ketones.