2-chloropyridine

• ChemBase编号: 92725
• 分子式: C5H4ClN
• 平均质量: 113.54496
• 单一同位素质量: 113.00322681
• SMILES: n1c(cccc1)Cl
• Canonical SMILES: Clc1ccccn1
• InChI: InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
• InChIKey: OKDGRDCXVWSXDC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloropyridine
• IUPAC传统名: 2-chloropyridine
• 别名: 2-氯吡啶; o-Chloropyridine; α-Chloropyridine; NSC 4649; 2-Chloropyridine; 2-Chloropyridine

登记号

• CAS号: 109-09-1
• EC号: 203-646-3
• MDL号: MFCD00006228
• Beilstein号: 105788
• PubChem SID: 24855927; 162079423; 24892916
• PubChem CID: 7977
• CHEBI ID: 39174
• CHEMBL: 509579
• Chemspider ID: 7689
• 维基百科标题: 2-Chloropyridine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.5797772
• LogD (pH = 7.4): 1.579795
• Log P: 1.5797952
• 摩尔折射率: 29.7672 cm^3
• 极化性: 11.361662 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: 27 g/L in water; Chloroform; Ethyl Acetate
• 外观: Clear Colourless Liquid; colorless, clear liquid
• 熔点: -46°C; -46°C
• 沸点: 166 °C/714 mmHg(lit.); 166°C; 167-170°C
• 闪点: 154.4 °F; 65°C(149°F); 68 °C; 68°C
• 密度: 1.2; 1.2 g/mL at 25 °C(lit.); 1.20 g/ml; 1.200 g/ml; 1.208
• 折射率: 1.5320; n20/D 1.532(lit.); n20/D 1.534
• 蒸汽压: 1.7 mmHg ( 20 °C)
• pKa: 0.49

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: Toxic
• RTECS编号: US5950000
• 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: 2822; UN2822
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 23/24/25-36/37/38; 23/24/25-37/38-41-50; R:27; R23 R38
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-61; S:28-29-36/37/39-45; S26 S37 S39 S45
• 欧盟危险货物分类: T1
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301 + H331-H310-H315-H319-H335; H301-H310-H330-H315-H335-H318-H400-H227
• GHS警示性声明: P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310; P280-P273-P303+P361+P353-P304+P340-P305+P351+P338-P320
• 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 2822 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 98%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5H4ClN

详细说明

MP Biomedicals - 02150653

Purity: 99%
1 ml = approx. 1.20 g

Sigma Aldrich - C69802

包装
5, 100, 500 g in glass bottle

Toronto Research Chemicals - C380605

2-Chloropyridine (2-CPY) has been identified as a trace organic chemical in process streams, wastewater and even drinking water. Furthermore, it appears to be formed as a secondary pollutant during the decomposition of specific insecticides. 2-CPY was fo

参考文献

• Demsia, G., et al.: Mutat. Res., 634, 32 (2007)
• Stapleton, D., et al.: Water Res., 43, 3964 (2007)
• Reaction with the unimetal suberbase complex formed from 2 mol of n-BuLi and I mol of 2-(Dimethylamino)ethanol, B23616, in hexane, gives products resulting from apparent metallation at the 6-position, providing useful access to 6-functionalized 2-chloropyridines: Org. Lett., 2, 803 (2000). See also 2-Methoxypyridine, A13675, for a similar effect.