2-fluoropyridine

• ChemBase编号: 9972
• 分子式: C5H4FN
• 平均质量: 97.0903632
• 单一同位素质量: 97.03277735
• SMILES: c1cnc(cc1)F
• Canonical SMILES: Fc1ccccn1
• InChI: InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
• InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoropyridine
• IUPAC传统名: 2-fluoropyridine
• 别名: 2-氟吡啶; 2-Fluoropyridine; 2-Fluoropyridine 99%; 2-Fluoropyridine

登记号

• CAS号: 372-48-5
• EC号: 206-757-5
• MDL号: MFCD00006224
• Beilstein号: 1515
• PubChem SID: 24894777; 160973279; 24871024
• PubChem CID: 9746

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.2922058
• LogD (pH = 7.4): 1.292206
• Log P: 1.292206
• 摩尔折射率: 25.1322 cm^3
• 极化性: 9.114505 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

• 沸点: 124-126°C; 124-126°C; 126 °C/753 mmHg(lit.); 126°C @ 753 mm Hg; 126°C/753mm
• 闪点: 24 °C; 24°C; 24°C(75°F); 28.3°C; 75.2 °F
• 密度: 1.128; 1.128 g/mL at 25 °C(lit.); 1.129; 1.13 g/ml
• 折射率: 1.4660; 1.4670; 1.468; n20/D 1.466(lit.); n20/D 1.468

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Flammable/Irritant/Store under Argon; IRRITANT, FLAMMABLE
• RTECS编号: UT3900000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; II; III
• 澳大利亚Hazchem: 3YE
• 危险公开号: 10-36/37/38; R:10-36/37/38
• 安全公开号: 26-36; 7-26-33-37-60; S:9-16-25-26-29
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-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 1993 3/PG 3

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 98%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5H4FN

详细说明

MP Biomedicals - 02158145

1 ml = approx. 1.13 g

Apollo Scientific Ltd - PC4200

JOC., 53, 2740 (1998): A useful precursor to a large range of 2,3-disubstituted pyridines. Fluorine is activated to nucleophilic displacement & C-3 metallation is possible.

Sigma Aldrich - F15250

包装
10, 100 g in glass bottle

Sigma Aldrich - 47460

Caution
储存时可能变为棕黄色

参考文献

• The possibility of metallation at C-3, together with the ready nucleophilic displacement of the activated fluorine makes 2-fluoropyridine a useful precursor of a wide range of 2,3-disubstituted pyridines. See, e.g.: J. Org. Chem., 53, 2740 (1988):