3-ブロモ-2,6-ジメチルピリジン

3-Bromo-2,6-dimethylpyridine

HCID 603971CAS 3430-31-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(Br)c(C)n1
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
分子式: C7H8BrN
平均分子量: 186.05 g/mol
単同位体質量: 184.98401136

名称と識別子

優先名称: 3-Bromo-2,6-dimethylpyridine
IUPAC: 3-bromo-2,6-dimethylpyridine
現地名: 3-ブロモ-2,6-ジメチルピリジン
英語名: 3-Bromo-2,6-dimethylpyridine
分子式: C7H8BrN
分子量: 186.05

名称と別名

3-Bromo-2,6-dimethylpyridine3430-31-7DTXSID80345365RefChem:277261DTXCID70296438685-732-42,6-Dimethyl-3-bromopyridine3-Bromo-2,6-dimethyl-pyridineMFCD00235164Pyridine, 3-bromo-2,6-dimethyl-3-BROMO-2,6-LUTIDINESCHEMBL312628

名称をさらに表示

3-ブロモ-2,6-ジメチルピリジン6-dimethylpyridine3-Bromo-2,6-dimethyl3-Bromo-6-methyl-2-picolin3-Bromo-6-methyl-2-picoline3-Bromo-2,6-dimethylpyridine 98%3-Bromo-2,6-dimethylpyridine ,97%2,6-Dimethylpyridine-3-Bromopyridine

SCHEMBL578026TUJVGHCSNXCAFE-UHFFFAOYSA-NSBB0903503-Bromo-2,6-dimethylpyridine, 97%AKOS005255989AB05311AC-6260CS-W002566

データベース識別子

CAS: 3430-31-7
PubChem CID: 603971
DTXSID: DTXSID80345365
EC Number: 685-732-4
Nikkaji: J2.639.373F

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: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 94.9

物理化学的性質

沸点: 56 · 56-58°C 2mm
比重(密度): 1.431 g/mL · 1.431 g/mL at 25 °C
屈折率: 20 · n20/D1.552
闪点: 86 ℃ · 86℃
貯蔵温度: Inert atmosphere,Room Temperature
外見: liquid
酸解離定数(Pka): 4.32 · 4.32±0.10(Predicted)
色: Clear, colourless
InChI: InChI=1S/C7H8BrN/c1-5-3-4-7(8)6(2)9-5/h3-4H,1-2H3
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC=C1Br
CAS データベース: 3430 · 3430-31-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.