2,6-difluoropyridine

• ChemBase编号: 9384
• 分子式: C5H3F2N
• 平均质量: 115.0808264
• 单一同位素质量: 115.02335554
• SMILES: c1c(nc(cc1)F)F
• Canonical SMILES: Fc1cccc(n1)F
• InChI: InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: MBTGBRYMJKYYOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-difluoropyridine
• IUPAC传统名: 2,6-difluoropyridine
• 别名: 2,6-二氟吡啶; 2,6-Difluoropyridine; 2,6-Difluoropyridine 99%; 2,6-Difluoropyridine; 2,6-Difluoropyridine

登记号

• CAS号: 1513-65-1
• EC号: 216-152-8
• MDL号: MFCD00006227
• Beilstein号: 1422549
• PubChem SID: 24853965; 160972691
• PubChem CID: 73934

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.8288386
• LogD (pH = 7.4): 1.8288386
• Log P: 1.8288386
• 摩尔折射率: 26.3633 cm^3
• 极化性: 8.947749 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: 123-124°C; 124.5 °C/743 mmHg(lit.); 124.5°C/743mm; 125°C
• 闪点: 33 °C; 33°C; 33°C(91°F); 91.4 °F
• 密度: 1.268; 1.268 g/mL at 25 °C(lit.)
• 折射率: 1.437; 1.4370; n20/D 1.437(lit.)

安全信息

• 保存注意事项: Flammable/Irritant; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: 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; III
• 危险公开号: 10-36/37/38
• 安全公开号: 16-26-36/37/39; 26-37
• 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: 97%; 98%; 98+%; 99%
• Empirical Formula (Hill Notation): C5H3F2N

详细说明

Apollo Scientific Ltd - PC2886

J. Chem. Soc., Perkin 1, 423 (1998): Sequential elimination of the fluorine atoms with nitrogen has resulted in the synthesis of linear and macrocyclic ligands.

Sigma Aldrich - 233277

包装
5, 25 g in glass bottle

参考文献

• Sequential displacement of the fluorine atoms with nitrogen has been used in the synthesis of linear and macrocyclic ligands: J. Chem. Soc., Perkin 1, 423 (1998).