pyridine-2-carbaldehyde

• ChemBase编号: 70239
• 分子式: C6H5NO
• 平均质量: 107.11
• 单一同位素质量: 107.03711379
• SMILES: c1(ccccn1)C=O
• Canonical SMILES: O=Cc1ccccn1
• InChI: InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
• InChIKey: CSDSSGBPEUDDEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridine-2-carbaldehyde
• IUPAC传统名: 2-formylpyridine
• 别名: 吡啶-2-甲醛; 吡啶甲醛; 2-吡啶甲醛; 吡啶-2-甲醛; 2-Pyridinecarboxaldehyde; Pyridine-2-aldehyde; 2-Pyridinecarboxaldehyde; picolinaldehyde; 2-Pyridine carboxaldehyde; 2-Pyridyl aldehyde; Picolinal; 2-Formylpyridine; Pyridine-2-carboxaldehyde; Picolinaldehyde; 2-Formylpyridine; Pyridine-2-carboxaldehyde 97%; PYRIDINE-2-ALDEHYDE

登记号

• CAS号: 1121-60-4
• EC号: 214-333-6
• MDL号: MFCD00006290
• Beilstein号: 105341
• PubChem SID: 162035962; 24898654
• PubChem CID: 14273
• CHEMBL: 274794
• Chemspider ID: 13635
• 维基百科标题: 2-Formylpyridine

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.1383028
• LogD (pH = 7.4): 1.1425642
• Log P: 1.1426189
• 摩尔折射率: 30.0999 cm^3
• 极化性: 11.32814 Å^3
• 极化表面积: 29.96 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

• 熔点: -21°C; -21°C
• 沸点: 179-181°C; 180-181°C; 181 °C(lit.); 181°C
• 闪点: 163.4 °F; 68°C(154°F); 73 °C; 73°C
• 密度: 1.124; 1.126; 1.126 g/mL; 1.126 g/mL at 25 °C(lit.)
• 折射率: 1.536; 1.5360; n20/D 1.536(lit.)

安全信息

• 保存注意事项: Air & Light Sensitive; IRRITANT; Toxic/Harmful/Irritant/Corrosive/Air Sensitive/Light Sensitive/Keep Cold/Store under Argon
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 1989; UN2810
• 德国WGK号: 2
• 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; III
• 危险公开号: 22-23-36/37/38-43-52; 22-23-37/38-41-43-51/53
• 安全公开号: 24-26-36/37/39-45-61; 26-36/37-45
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H315-H317-H318-H330-H335; H331-H302-H315-H317-H335-H318-H227-H401-H411
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P260-P280-P284-P305 + P351 + P338-P310
• 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: 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C6H5NO

详细说明

MP Biomedicals - 05218007

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P62003

包装
25, 100, 500 g in glass bottle

参考文献

• Has been applied in a sequence for the oxidative deamination of amines to ketones, by reaction of the imines with mCPBA and cleavage of the resulting oxaziridines: J. Am. Chem. Soc., 97, 6900 (1975):