6-ブロモ-3-ニトロ-2-ピコリン臭化物

6-Bromo-2-methyl-3-nitropyridine

HCID 24728014CAS 22282-96-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc(Br)ccc1[N+](=O)[O-]
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
分子式: C6H5BrN2O2
平均分子量: 217.02 g/mol
単同位体質量: 215.95344

名称と識別子

優先名称: 6-Bromo-2-methyl-3-nitropyridine
IUPAC: 6-bromo-2-methyl-3-nitropyridine
現地名: 6-ブロモ-3-ニトロ-2-ピコリン臭化物
英語名: 2-BROMO-5-NITRO-6-PICOLINE
分子式: C6H5BrN2O2
分子量: 217.02

名称と別名

22282-96-86-bromo-2-methyl-3-nitropyridine2-Bromo-6-methyl-5-nitropyridineDTXSID00646104RefChem:540770DTXCID80596855694-528-42-Bromo-5-nitro-6-picolineMFCD030952192-bromo-5-nitro-6-methylpyridineCS-D0966AKOS005255975

名称をさらに表示

6-ブロモ-3-ニトロ-2-ピコリン臭化物2-ブロモ-6-メチル-5-ニトロピリジン6-ブロモ-2-メチル-3-ニトロピリジン6-ブロモ-3-ニトロ-2-ピコリン6-Bromo-3-nitropicoline6-Bromo-2-methyl-3-nitro-p2-BROMO-5-NITRO-6-PICOLIN...6-Brom-2-methyl-3-nitro-pyridi6-Brom-2-methyl-3-nitro-pyridin

6-Bromo-2-methyl-3-nitropyridine, 97%SY017254EN300-1577516-bromo-2-methyl-3-nitro-pyridine6-bromo-3-nitro-2-picolineFT-0648082SCHEMBL1128565PCNVKBBKROTUNS-UHFFFAOYSA-N

データベース識別子

CAS: 22282-96-8
PubChem CID: 24728014
DTXSID: DTXSID00646104
EC Number: 694-528-4

物性

構造計算による物性

XLogP: 2.1
極性表面積: 58.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 69 · 69-70°C
沸点: 274 · 274.0±35.0 °C(Predicted)
比重(密度): 1.709 · 1.709±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム
酸解離定数(Pka): -2.52 · -2.52±0.10(Predicted)
外見: 個体
色: 黄色
InChI: 1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey: PCNVKBBKROTUNS-UHFFFAOYSA-N
SMILES: Cc1nc(Br)ccc1[N+]([O-])=O
CAS データベース: 22282 · 22282-96-8(CAS DataBase Reference)

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 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.