5-フルオロ-2-ピコリン

5-Fluoro-2-methylpyridine

HCID 2762863CAS 31181-53-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(F)cn1
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
分子式: C6H6FN
平均分子量: 111.12 g/mol
単同位体質量: 111.04842736

名称と識別子

優先名称: 5-Fluoro-2-methylpyridine
IUPAC: 5-fluoro-2-methylpyridine
現地名: 5-フルオロ-2-ピコリン
英語名: 5-Fluoro-2-methylpyridine
分子式: C6H6FN
分子量: 111.12

名称と別名

5-fluoro-2-methylpyridine31181-53-0DTXSID10376521RefChem:303169DTXCID20327549814-475-45-fluoro-2-picoline3-Fluoro-6-picolineMFCD030952715-fluoro-2-methyl-pyridine3-fluoro-6-methylpyridinePYRIDINE, 5-FLUORO-2-METHYL-

名称をさらに表示

5-フルオロ-2-ピコリン5-フルオロ-2-メチルピリジン3-Fluoro-6-picoline 98%2-methyl-5-fluoro-pyridine5-Fluoro-2-methylpyridine 98+%5-Fluoro-2-methylpyridine, 97%5-FLUORO-2-PICOLINE5-FLUORO-2-METHYLPYRIDINE

5-Fluoro -2-picolineSCHEMBL424656SCHEMBL754139SCHEMBL932697SCHEMBL1439318SCHEMBL16114306SCHEMBL22978495SCHEMBL29918724

データベース識別子

CAS: 31181-53-0
PubChem CID: 2762863
DTXSID: DTXSID10376521
EC Number: 814-475-4

物性

構造計算による物性

XLogP: 1.3
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 74

物理化学的性質

沸点: 135 · 135-136 C
比重(密度): 1.077 g/ml · 1.077g/ml
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
酸解離定数(Pka): 3.53 · 3.53±0.10(Predicted)
色: Clear, almost colourless
InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(F)C=C1
CAS データベース: 31181 · 31181-53-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.