2-フルオロイソニコチン酸

2-Fluoroisonicotinic acid

HCID 345360CAS 402-65-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)c1ccnc(F)c1
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
分子式: C6H4FNO2
平均分子量: 141.1 g/mol
単同位体質量: 141.02260659

名称と識別子

優先名称: 2-Fluoroisonicotinic acid
IUPAC: 2-fluoropyridine-4-carboxylic acid
現地名: 2-フルオロイソニコチン酸
英語名: 2-Fluoroisonicotinic acid
分子式: C6H4FNO2
分子量: 141.1

名称と別名

2-Fluoroisonicotinic acid402-65-3DTXSID00323069RefChem:472641DTXCID002741882-Fluoropyridine-4-carboxylic acid2-Fluoro-4-pyridinecarboxylic acid2-FluoroisonicotinicacidMFCD021811942-fluoro isonicotinic acidSY024079F0693

名称をさらに表示

2-フルオロイソニコチン酸2-フルオロ-4-ピリジンカルボン酸2-フルオロピリジン-4-カルボン酸uoroisonicotinic Acid2-FluoroisonicotinicAci2-Fluoroisonotinic acid2-Fluoroisonictinic acid2-FluoroisonicotinicAcid>2-Fluoro-4-pyridinecorboxylc2-Fluoroisonicotinic acid ,98%2-Fluoro-4-pyridinecarboxlic acid2-Fluoropyridin-4-carboxylic acid

4-PYRIDINECARBOXYLIC ACID, 2-FLUORO-2-FLUORO-4-CARBOXYPYRIDINE2-Fluoro-isonicotinic acidNSC402973SCHEMBL1188174-PYRIDINECARBOXYLIC ACISCHEMBL23796342SCHEMBL25382200

データベース識別子

CAS: 402-65-3
PubChem CID: 345360
DTXSID: DTXSID00323069
EC Number: 637-035-1
Nikkaji: J2.109.176F

物性

構造計算による物性

XLogP: 0.8
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 140

物理化学的性質

融点: 200 °C · 200 °C (dec.)(lit.)
沸点: 396.6 · 396.6±22.0 °C(Predicted)
比重(密度): 1.419 · 1.419±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 3.03 · 3.03±0.10(Predicted)
外見: 粉
色: White to Almost white
InChI: InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(C(O)=O)=C1
CAS データベース: 402 · 402-65-3(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powder, solubility in water, ethanol, and methanol, as well as high solubility in organic solvents.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesEye Irrit. 2A (100%)

安全データ

wgk: 3
hs_code: 29333990
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Fluoroisonicotinic acid is a catalyst in organic reactions and serves as a starting material for the synthesis of fluorinated compounds. Furthermore, it plays a role in the synthesis of dyes, pigments, and various other organic compounds.