furan-3-carbaldehyde

• ChemBase编号: 80497
• 分子式: C5H4O2
• 平均质量: 96.08406
• 单一同位素质量: 96.02112937
• SMILES: o1cc(cc1)C=O
• Canonical SMILES: O=Cc1cocc1
• InChI: InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H
• InChIKey: AZVSIHIBYRHSLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: furan-3-carbaldehyde
• IUPAC传统名: furan-3-carboxaldehyde
• 别名: 3-呋喃甲醛; 3-糠醛; 3-Furancarboxaldehyde; 3-Furanaldehyde; 3-Furancarbaldehyde; 3-Furfural; 3-Furfuraldehyde; 3-Furylaldehyde; 3-Furylcarboxaldehyde; 3-Furaldehyde; 3-Furaldehyde; Furan-3-carboxaldehyde; 3-Formylfuran; 3-Furaldehyde 97%; 3-Furaldehyde; 3-Furancarboxaldehyde

登记号

• CAS号: 498-60-2
• MDL号: MFCD00010424
• Beilstein号: 105852
• PubChem SID: 24856838; 162067617; 24902004; 24871665
• PubChem CID: 10351

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.82599366
• LogD (pH = 7.4): 0.82599366
• Log P: 0.82599366
• 摩尔折射率: 25.1554 cm^3
• 极化性: 9.124943 Å^3
• 极化表面积: 30.21 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 144 °C/732 mmHg(lit.); 145°C; 145°C
• 闪点: 118.4 °F; 48 °C; 48°C; 48°C(118°F)
• 密度: 1.111 g/mL at 25 °C(lit.); 1.15; 1.150
• 折射率: 1.494; 1.4940; n20/D 1.493; n20/D 1.493(lit.)

安全信息

• 保存注意事项: Air & Light Sensitive; Toxic/Flammable/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1989; UN1199
• 德国WGK号: 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 10-23/25-36/37/38; 10-36/37/38
• 安全公开号: 26-36; 26-36/37-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335; H300-H330-H315-H319-H335-H226
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1989 3/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97%; ≥98.0% (GC); 97%, stab. with ca 0.05% BHT
• 级别: technical
• Empirical Formula (Hill Notation): C5H4O2

详细说明

Apollo Scientific Ltd - OR23028

Stabilised with 0.05% BHT

Sigma Aldrich - 278866

包装
5, 25 g in glass bottle

Sigma Aldrich - W501603

包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle

Toronto Research Chemicals - F863200

3-Furaldehyde is a volatile compound of honey of various floral origin.

参考文献

• Alissandrakis, E., et al.: Food Chem., 100, 396 (2007)
• Baltrusaityte, V., et al.: Food Technol. Biotechnol., 45, 201 (2007)