5-ブロモ-6-フルオロ-3-ピコリン臭化物

3-Bromo-2-fluoro-5-methylpyridine

HCID 21816563

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17282-01-8
標準SMILES: Cc1cnc(F)c(Br)c1
InChIKey: FWKQBHMQYXTOTD-UHFFFAOYSA-N
分子式: C6H5BrFN
平均分子量: 190.01 g/mol
単同位体質量: 188.95893948

名称と識別子

優先名称: 3-Bromo-2-fluoro-5-methylpyridine
IUPAC: 3-bromo-2-fluoro-5-methylpyridine
現地名: 5-ブロモ-6-フルオロ-3-ピコリン臭化物
英語名: 3-Bromo-2-fluoro-5-methylpyridine
分子式: C6H5BrFN
分子量: 190.01

名称と別名

3-Bromo-2-fluoro-5-methylpyridine17282-01-8DTXSID70618373RefChem:93120DTXCID00569127807-945-53-bromo-2-fluoro-5-picolineMFCD03095305CS-D0947AKOS005063652AB13665DS-0586

名称をさらに表示

5-ブロモ-6-フルオロ-3-ピコリン臭化物3-ブロモ-2-フルオロ-5-メチルピリジン5-ブロモ-6-フルオロ-3-ピコリン2-FLUORO-3-BROMO-5-METHYLPYRIDNIEPyridine, 3-bromo-2-fluoro-5-methyl-3-Bromo-2-fluoro-5-methylpyridine >3-Bromo-2-fluoro-5-methylpyridine 97%3-Bromo-2-fluoro-5-methylpyridine ISO 9001：2015 REACH

3-BROMO-2-FLUORO-5-METHYL-PYRIDINE3-bromo-2-fluoro-5-methyl pyridine2-FLUORO-3-BROMO-5-METHYLPYRIDINE2-fluoro-3-bromo-5-picolineBCP22131AM20061715SCHEMBL1157325-Bromo-6-fluoro-3-picoline

データベース識別子

CAS: 17282-01-8
PubChem CID: 21816563
DTXSID: DTXSID70618373
EC Number: 807-945-5

物性

構造計算による物性

XLogP: 2.3
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: 9
形式電荷: 0
複雑度: 99.1

物理化学的性質

融点: 57 to · 57.0 to 61.0 °C
沸点: 207.8 · 207.8±35.0 °C(Predicted)
比重(密度): 1.6 g/cm · 1.6 g/cm
蒸気圧: 0.318 mmHg · 0.318mmHg at 25°C
屈折率: 1.53 · 1.53
闪点: 79.5 oC · 79.5oC
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -2.5 · -2.50±0.20(Predicted)
色: White to Almost white
CAS データベース: 17282 · 17282-01-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

hs_code: 2933399990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-39
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用3-Bromo-2-fluoro-5-methylpyridine is a pyridine analogue whose structure contains active groups bromine and fluorine atoms, and is mainly used as a reagent for chemical reactions or as an intermediate component in organic synthesis, and can be used in the preparation of 3-bromo-5-methylpicolinonitrile.