(2H4)furan

• ChemBase编号: 138581
• 分子式: C4H4O
• 平均质量: 68.07396
• 单一同位素质量: 68.02621475
• SMILES: c1ccoc1
• 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: (^2H₄)furan
• IUPAC传统名: (^2H₄)furan
• 别名: 呋喃-d4; Furan-d4; Furan-2,3,4,5-d4; Perdeuteriofuran; Tetradeuteriofuran; Furan-d4

登记号

• CAS号: 6142-90-1
• MDL号: MFCD00075149
• PubChem SID: 162232834; 24860571
• PubChem CID: 2733420

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: 7.218344 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

• 沸点: 32 °C/758 mmHg(lit.)
• 闪点: -32.8 °F; -36 °C
• 密度: 0.991 g/mL at 25 °C
• 折射率: n20/D 1.4202(lit.)
• 蒸汽压: 9.63 psi ( 20 °C)
• 质量偏移: M+4

安全信息

• 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
• 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
• 危险公开号: 45-12-19-20/22-38-48/22-52/53-68
• 安全公开号: 53-45-61
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H224-H302 + H332-H315-H341-H350-H373-H412
• GHS警示性声明: P201-P210-P273-P281-P308 + P313
• RID/ADR: UN 2389 3/PG 1
• 欧盟补充危害声明: May form explosive peroxides.

产品相关信息

• 同位素纯度: 98 atom % D
• 其他组分: 0.025 wt. % BHT as stabilizer
• Mol. Weight: mol wt 72.02 by atom % calculation
• Empirical Formula (Hill Notation): C4D4O

详细说明

Sigma Aldrich - 338753

包装
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - F863652

The labelled analogue of Furan, a five-membered heterocyclic aromatic ring. Furan is used as a building block for the preparation of many heterocyclic compounds.

参考文献

• Wilson, W.C.: Org. Synth., 1, 274 (1941)