2-アミノ-5-ブロモ-3-ニトロ-4-ピコリン

2-Amino-5-bromo-4-methyl-3-nitropyridine

HCID 7213207

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 100367-40-6
標準SMILES: Cc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIKey: KFVGEPWMVKZPND-UHFFFAOYSA-N
分子式: C6H6BrN3O2
平均分子量: 232.03 g/mol
単同位体質量: 230.96433853

名称と識別子

優先名称: 2-Amino-5-bromo-4-methyl-3-nitropyridine
IUPAC: 5-bromo-4-methyl-3-nitropyridin-2-amine
現地名: 2-アミノ-5-ブロモ-3-ニトロ-4-ピコリン
英語名: 2-Amino-5-bromo-4-methyl-3-nitropyridine
分子式: C6H6BrN3O2
分子量: 232.03

名称と別名

2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-6DTXSID40428426RefChem:464524DTXCID20379260634-469-35-bromo-4-methyl-3-nitropyridin-2-amine2-Amino-5-bromo-3-nitro-4-picolineMFCD000921972-PYRIDINAMINE, 5-BROMO-4-METHYL-3-NITRO-5-bromo-4-methyl-3-nitro-pyridin-2-amineEN300-134408

名称をさらに表示

2-アミノ-5-ブロモ-3-ニトロ-4-ピコリン2-アミノ-5-ブロモ-4-メチル-3-ニトロピリジン2-Ami2-Amino-5-Bromo-4methyl-3-Np2-AMINO-3-NITRO-5-BROMO-4-PICOLINE2-Amino-5-bromo-3-nitro-GAMMA-picoline5-bromo-4-methyl-3-nitro-2-Pyridinamine2-AMino-5-broMo-3-nitro-4-picoline 98%2-AMINO-3-NITRO-4-METHYL-5-BROMOPYRIDINE

CS-M1656AKOS007930477AC-230982-amino-5-bromo-3-nitro-4-methyl-pyridine5-Bromo-4-methyl-3-nitropyridin-2-amine; 2-Amino-5-bromo-3-nitro-4-picoline; 5-Bromo-4-methyl-3-nitro-2-pyridinamine; 2-Amino-5-bromo-3-nitro-4-methylpyridine; 2-Amino-5-bromo-4-methyl-3-nitropyridine; 5-Bromo-4-methyl-3-nitropyridin-2-amineBCP234115-bromo-4-methyl-3-nitro-2-pyridylamineAM20050600

データベース識別子

CAS: 100367-40-6
PubChem CID: 7213207
DTXSID: DTXSID40428426
EC Number: 634-469-3

物性

構造計算による物性

XLogP: 1.9
極性表面積: 84.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 184

物理化学的性質

融点: 160 · 160-164
沸点: 314.1 · 314.1±37.0 °C(Predicted)
比重(密度): 1.795 · 1.795±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
酸解離定数(Pka): 0.78 · 0.78±0.50(Predicted)
外見: powder to crystal
色: Light yellow to Brown
CAS データベース: 100367 · 100367-40-6(CAS DataBase Reference)

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 42 reports by companies from 5 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

CSL00045

SODIUM NITRITE + 2-AMINO-5-BROMO-4-METHYL-3-NITROPYRIDINE

Uncontrollable, slow 'foaming' of reaction contents during addition of sodium nitrite

Corrosive,Explosive,Harmful

HeteroAryl Amine

M (up to 100g)

安全データ

hs_code: 2933399990
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野 · 1 件

使用2-Amino-5-bromo-4-methyl-3-nitropyridine is a pyridine derivative. Its molecular structure contains reactive groups of bromine atoms, amino groups and nitric acid, which can be used in a variety of chemical reactions, such as substitution, condensation, and nitro-reduction reactions. It is mainly used in organic synthesis or pharmaceutical intermediates.