pyridin-4-ylmethanol

• ChemBase编号: 11754
• 分子式: C6H7NO
• 平均质量: 109.12588
• 单一同位素质量: 109.05276385
• SMILES: OCc1ccncc1
• Canonical SMILES: OCc1ccncc1
• InChI: InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
• InChIKey: PTMBWNZJOQBTBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridin-4-ylmethanol; (pyridin-4-yl)methanol
• IUPAC传统名: 4-pyridinemethanol
• 别名: ω-羟基-4-皮考啉; 4-(羟甲基)吡啶; 吡啶-4-甲醇; 4-吡啶甲醇; ω-Hydroxy-4-picoline; 4-(Hydroxymethyl)pyridine; 4-Pyridyl carbinol; 4-Pyridinemethanol; (Pyridin-4-yl)methanol; 4-(Hydroxymethyl)pyridine; Pyridine-4-methanol; 4-Pyridinemethanol; Pyridin-4-ylMethanol

登记号

• CAS号: 586-95-8
• EC号: 209-590-6
• MDL号: MFCD00006442
• Beilstein号: 107850
• PubChem SID: 160975061; 24849153; 24879704
• PubChem CID: 11472

理论计算性质

• Acid pKa: 14.795814
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.116289005
• LogD (pH = 7.4): -0.013308825
• Log P: -0.011776378
• 摩尔折射率: 30.717 cm^3
• 极化性: 11.881411 Å^3
• 极化表面积: 33.12 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: 52-54°C; 52-56 °C; 52-56 °C(lit.); 53-55°C; 53-55°C
• 沸点: 107-110 °C/1 mmHg(lit.); 141°C/12mm; 141°C/12mm
• 闪点: 113 °C; 148°C(298°F); 235.4 °F

安全信息

• 保存注意事项: Hygroscopic; IRRITANT, HYGROSCOPIC, KEEP COLD; Irritant/Keep Cold/Hygroscopic
• RTECS编号: UT4691000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335; H315-H319
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (NT); 98%; 99%
• 级别: technical
• Empirical Formula (Hill Notation): C6H7NO

详细说明

MP Biomedicals - 05217979

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 151629

包装
25, 100 g in poly bottle

参考文献

• Has been used to prepare 4-picolyl esters, by DCC coupling, as a polar protection method for the carboxyl group during peptide synthesis: J. Chem. Soc. (C), 1911 (1969). For further details of the 'handle' method of peptide synthesis, see 4-Chloromethylpyridine hydrochloride, A12859.