3-ブロモ-2-ヒドロキシ-5-メチルピリジン臭化物

3-Bromo-2-hydroxy-5-methylpyridine

HCID 3725261

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17282-02-9
標準SMILES: Cc1c[nH]c(=O)c(Br)c1
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
分子式: C6H6BrNO
平均分子量: 188.02 g/mol
単同位体質量: 186.96328

名称と識別子

優先名称: 3-Bromo-2-hydroxy-5-methylpyridine
IUPAC: 3-bromo-5-methyl-1H-pyridin-2-one
現地名: 3-ブロモ-2-ヒドロキシ-5-メチルピリジン臭化物
英語名: 3-BROMO-2-HYDROXY-5-METHYLPYRIDINE
分子式: C6H6BrNO
分子量: 188.02

名称と別名

17282-02-93-Bromo-2-hydroxy-5-methylpyridineDTXSID00395569RefChem:277321DTXCID30346428623-885-03-bromo-5-methylpyridin-2-ol3-Bromo-5-methylpyridin-2(1H)-one3-bromo-5-methyl-1H-pyridin-2-oneMFCD037913123-BROMO-5-METHYL-2(1H)-PYRIDINONE3-Bromo-5-methyl-2-pyridinol

名称をさらに表示

3-ブロモ-2-ヒドロキシ-5-メチルピリジン臭化物3-ブロモ-5-メチル-2-ピリドン3-ブロモ-2-ヒドロキシ-5-メチルピリジン3-ブロモ-5-メチル-2-ピリジノール3-ブロモ-5-メチル-2(1H)-ピリジノン3-ブロモ-5-メチル-1,2-ジヒドロピリジン-2-オン3-Bromo-2-hydroxy-5-picolineTIMTEC-BB SBB0036795-Bromo-2-hydroxy-3-picoline2-HYDROXY-3-BROMO-5-PICOLINE3-bromo-5-methyl-2(1H)-pyridone3-Bromo-5-methyl-2-pyridone >3-BROMO-5-METHYL-2(1H)-PYRIDINONE

AKOS015891790AB16221FS-3429SY0191763-Bromo-2-hydroxy-5-methylpyridine, 97%3-Bromo-5-methyl-pyridin-2-ol2(1H)-Pyridinone, 3-bromo-5-methyl-3-Bromo-5-methyl-2-pyridone

データベース識別子

CAS: 17282-02-9
PubChem CID: 3725261
DTXSID: DTXSID00395569
EC Number: 623-885-0
Nikkaji: J3.151.646C

物性

構造計算による物性

XLogP: 1
極性表面積: 29.1 Å²
水素結合供与体数: 1
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: 205

物理化学的性質

融点: 78 · 78-82 °C (lit.)
沸点: 324 · 324.0±42.0 °C(Predicted)
比重(密度): 1.622 · 1.622±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.95 · 10.95±0.10(Predicted)
外見: powder to crystal
色: White to Orange to Green
BRN: 1423374 · 1423374
InChI: 1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
SMILES: Cc1cnc(O)c(Br)c1
CAS データベース: 17282 · 17282-02-9(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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, 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 47 reports by companies from 7 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.