2-Bromo-5-methylpyridine (HCID 564216)

名称と識別子

優先名称: 2-Bromo-5-methylpyridine
IUPAC: 2-bromo-5-methylpyridine
現地名: 6-ブロモ-3-ピコリン
英語名: 2-Bromo-5-methylpyridine
分子式: C6H6BrN
分子量: 172.02

名称と別名

2-Bromo-5-methylpyridine3510-66-5Pyridine, 2-bromo-5-methyl-DTXSID50188600RefChem:85781DTXCID70111091609-062-9InChI=1/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1HYWNJQQNBJQUKME-UHFFFAOYSA-N2-Bromo-5-picoline6-Bromo-3-picoline2-bromo-5-methyl-pyridine

名称をさらに表示

6-ブロモ-3-ピコリン2-ブロモ-5-メチルピリジン6-ブロモ-β-ピコリン2-ブロモ-5-ピコリン2‐ブロモ‐5‐メチルピリジン6-Bromo-β-picolineCarvone Impurity 62-Bromo5MythylPyridine2-bormo-5-methylpyridine5-Methyl-2-broMopyridine2-BROMO-5-METHYLPYRIDINE 98%

MFCD002095532-Bromo-5-Methyl Pyridine2-bromo-5-methylpyridinCS-W007353HY-W007353FG-0495Z415645054pyridine, 2-bromo-5-methyl

データベース識別子

CAS: 3510-66-5
PubChem CID: 564216
DTXSID: DTXSID50188600
EC Number: 609-062-9
Nikkaji: J236.669J

物性

構造計算による物性

XLogP: 2.4
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: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 74.9

物理化学的性質

融点: 41 · 41-43 °C (lit.)
沸点: 95 · 95-96 °C/12.5 mmHg (lit.)
比重(密度): 1.4964 · 1.4964 (rough estimate)
屈折率: 1.568 · 1.5680 (estimate)
闪点: 218 °F · 218 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: ジメチルスルホキシド、メタノール、
外見: 低融点結晶性固体または結晶
酸解離定数(Pka): 1.08 · 1.08±0.10(Predicted)
色: 白色から淡黄色または淡褐色
BRN: 107323 · 107323
InChI: InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey: YWNJQQNBJQUKME-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(C)C=C1
CAS データベース: 3510 · 3510-66-5(CAS DataBase Reference)

化学的性質

化学的特性2-Bromo-5-methylpyridine is Light Brown Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)

CSL Reaction Information · 6 件

CSL00026

2-BROMO-5-METHYLPYRIDINE + POTASSIUM PERMANGANATE

Immiscible reagents mixing at 80oC caused a violent reaction

Gas Under Pressure,Sensitizer

HeteroAryl Methyl

M (up to 100g)

安全データ

wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用2-Bromo-5-methylpyridine is used for preparation of [[(triazolylmethyl)pyridyl]phenyl]tetrazoles and related compounds as cardiovascular agents.

調製方法

製造方法Using 5-methylpyridin-2-amine as the raw material, hydrobromic acid and sodium nitrite were reacted at -20°C to obtain 2-Bromo-5-methylpyridine.