2-氟-4-甲基吡啶

2-Fluoro-4-methylpyridine

HCID 2737403CAS 461-87-0

子结构检索查找相似结构

基本信息

标准SMILES: Cc1ccnc(F)c1
InChIKey: ZBFAXMKJADVOGH-UHFFFAOYSA-N
分子式: C6H6FN
平均分子量: 111.12 g/mol
单同位素质量: 111.04842741

名称与标识

首选名称: 2-Fluoro-4-methylpyridine
IUPAC: 2-fluoro-4-methylpyridine
中文名: 2-氟-4-甲基吡啶
英文名: 2-Fluoro-4-methylpyridine
分子式: C6H6FN
分子量: 111.12

名称与别名

2-Fluoro-4-methylpyridine461-87-0DTXSID90372041ZBFAXMKJADVOGH-UHFFFAOYSA-RefChem:87085DTXCID50323074625-585-5InChI=1/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3ZBFAXMKJADVOGH-UHFFFAOYSA-N2-Fluoro-4-picoline2-fluoro-4-methyl-pyridineMFCD00041224

展开更多名称

-氟-4-甲基吡啶2-氟-4-皮考林2-氟-4-甲基吡啶2-氟-4-甲基吡啶 25G2-氟-4-甲基吡啶,98%2-氟-4-甲基吡啶, 97+%2-氟-4-甲基吡啶(CAS号:461-87-0)2-FLUORO-4-METHYLPYRIDINE2-氟-4-甲基吡啶2-Fluoro-4-methylpyridine2-氟-4-甲基吡啶2-fluoro-4-methlpyridine4-methyl-2-fluoropyridine2-Fluoro-4-mehtylpyridine2-Fluoro-4-methylpyridine97%2-Fluoro-4-methylpyridine>Pyridine, 2-fluoro-4-methyl-2-FLUORO-4-METHYLPYRIDINE 98%2-Fluoro-4-methylpyridine,98%

2-fluoro-4-methyl pyridineSCHEMBL119822-Fluoro-4-methylpyridine, 98%AC-451AKOS005063631CS-W011273AB01854BP-21203

数据库标识

CAS: 461-87-0
PubChem CID: 2737403
DTXSID: DTXSID90372041
EC Number: 625-585-5
Nikkaji: J594.817G

性质

结构计算性质

XLogP: 1.3
极性表面积: 12.9 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 74.9

实验与物化性质

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学性质

沸点: 160 · 160-161 °C (lit.)
密度: 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.472(lit.)
闪点: 230 °F · >230 °F
储存条件: Keep in dark place,Sealed in dry,Room Temperature
酸度系数(pKa): 0.24 · 0.24±0.10(Predicted)
形态: Liquid
颜色: Colorless to pale yellow
比重: 1.078 · 1.078
BRN: 107086 · 107086
InChI: 1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey: ZBFAXMKJADVOGH-UHFFFAOYSA-N
SMILES: Cc1ccnc(F)c1
CAS 数据库: 461 · 461-87-0(CAS DataBase Reference)

化学性质

无色透明液体

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H226 (16%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.