pyridine hydrochloride

• ChemBase编号: 76878
• 分子式: C5H6ClN
• 平均质量: 115.56084
• 单一同位素质量: 115.01887688
• SMILES: n1ccccc1.Cl
• Canonical SMILES: c1cccnc1.Cl
• InChI: InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
• InChIKey: AOJFQRQNPXYVLM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridine hydrochloride
• IUPAC传统名: pyridine hydrochloride
• 别名: 吡啶盐酸盐; 吡啶盐酸盐; 吡啶 盐酸盐; Pyridine hydrochloride; PYRIDINE HYDROCHLORIDE TECHNICAL GRADE; Pyridinium chloride; Pyridine hydrochloride

登记号

• CAS号: 628-13-7
• EC号: 211-027-4
• MDL号: MFCD00012802
• Beilstein号: 3615340
• PubChem SID: 24854598; 162041780; 24888045
• PubChem CID: 10176127

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• 摩尔折射率: 23.9011 cm^3
• 极化性: 9.4423685 Å^3
• 极化表面积: 12.89 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

• 溶解度: Methanol; Water
• 外观: White to Off-White Solid
• 熔点: 138-142°C; 143-147 °C; 145-147 °C(lit.); ca 145°C
• 沸点: 222-224 °C(lit.); 222-224°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Harmful/Hygroscopic; Hygroscopic
• RTECS编号: UT4375000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38; 22-36/37/38; R:22
• 安全公开号: 26-36; 26-36/37-60; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H332-H335; H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 98%
• 级别: purum; TECHNICAL
• Empirical Formula (Hill Notation): C5H5N · HCl

详细说明

MP Biomedicals - 05217977

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 243086

包装
100, 500 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - P991280

Pyridine Hydrochloride is the hydrochloride salt of pyridine, a basic six-membered heterocyclic ring. Pyridine is a base structure present in many biologically active compounds like the vitamins niacin and pyridoxal. Pyridine is used in dehalogenation rea

参考文献

• Egyed, J. et al.: Bull. Soc. Chim. Fra., 11, 3014 (1973)
• Li, Y. et al.: Wuli HUa. Xueb., 14, 1048 (1973)
• Demethylation of methyl aryl ethers can also be carried out under solvent-free conditions with microwave irradiation: J. Chem. Res. (Synop.), 394 (1999).
• Epoxides at ambient temperature in chloroform give chlorohydrins: Synth. Commun., 11, 287 (1981).
• In DMF, has been used for the conversion of alkyl tosylates to chlorides at room temperature: J. Am. Chem. Soc., 80, 2726 (1958).
• Cleaves N-trityl groups from histidine residues in peptide synthesis: Tetrahedron Lett., 28, 6031 (1987).
• Classical reagent for cleavage of aryl methyl ethers at 200-220 ^o : Ber ., 75, 445 (1942), avoiding the strongly acidic or basic conditions of some alternative methods; see, e.g.: J. Org. Chem., 27, 4660 (1962):
  
• Mild acid catalyst, e.g. in the formation of acetals with ethylene glycol: J. Org. Chem., 31, 26 (1966), or 1,3-propanediol: Bull. Soc. Chim. Fr., 2287 (1972); and in the Fischer indole synthesis for acid-sensitive substrates: Synthesis, 645 (1977).