2-アミノ-4-メチル-3-ニトロピリジン

2-Amino-4-methyl-3-nitropyridine

HCID 243166CAS 6635-86-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccnc(N)c1[N+](=O)[O-]
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
分子式: C6H7N3O2
平均分子量: 153.14 g/mol
単同位体質量: 153.05382646

概要

structure in first source

名称と識別子

優先名称: 2-Amino-4-methyl-3-nitropyridine
IUPAC: 4-methyl-3-nitropyridin-2-amine
現地名: 2-アミノ-4-メチル-3-ニトロピリジン
英語名: 2-Amino-3-nitro-4-picoline
分子式: C6H7N3O2
分子量: 153.14

名称と別名

2-Amino-4-methyl-3-nitropyridine6635-86-5DTXSID80287771RefChem:464324DTXCID10238918626-702-24-methyl-3-nitropyridin-2-amine2-Amino-3-nitro-4-picoline2-Pyridinamine, 4-methyl-3-nitro-4-methyl-3-nitro-pyridin-2-ylamineMFCD000063154-methyl-3-nitro-pyridin-2-amine

名称をさらに表示

2-アミノ-4-メチル-3-ニトロピリジン4-メチル-3-ニトロピリジン-2-アミン3-ニトロ-4-メチルピリジン-2-アミン2-アミノ-3-ニトロ-4-メチルピリジン3-ニトロ-4-メチル-2-ピリジンアミン2-アミノ-3-ニトロ-4-ピコリン2‐アミノ‐4‐メチル‐3‐ニトロピリジンNSC 52453TIMTEC-BB SBB0066364-METHYL-3-NITRO-PYRI2-AMino-4-Methyl-3-nitrop...2-Amino-3-nitro-4-picoline,98%4-Methyl-3-nitro-2-pyridinamine2-amin-3-nitro-4-methylpyridine3-Nitro-4-methyl-2-pyridinamine

CHEMBL39817274-methyl-3-nitro-2-pyridylamine4-Methyl-3-nitropyridine-2-amineAKOS0051455942-Amino-3-Nitro-4-Methylpyridine2-amino-4-methyl-3-nitro-pyridine2-amino-4-methyl-3-nitro pyridine4mrz

データベース識別子

CAS: 6635-86-5
PubChem CID: 243166
DTXSID: DTXSID80287771
ChEMBL: CHEMBL3981727
EC Number: 626-702-2
Nikkaji: J2.876.092B、J81.259E

物性

構造計算による物性

XLogP: 1.2
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: 11
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 136 · 136-140 °C(lit.)
沸点: 276.04 °C · 276.04°C (rough estimate)
比重(密度): 1.3682 · 1.3682 (rough estimate)
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 結晶性粉末
酸解離定数(Pka): 2.97 · 2.97±0.47(Predicted)
色: 黄色
BRN: 139111 · 139111
InChI: InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C)=C1[N+]([O-])=O
CAS データベース: 6635 · 6635-86-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyridine, 2-amino-3-nitro-4-methyl-(6635-86-5)

化学的性質

化学的特性light yellow crystal powder

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 46 reports by companies from 6 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%)

安全データ

F: 10
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
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 · 3 件

用途有機合成原料。

使用2-Amino-4-methyl-3-nitropyridine was used in the synthesis of 2-amino-5-hydroxy-4-methyl-3-nitropyridine, 2-amino-4-hydroxymethyl-3-nitropyridine and 2-amino-4-methyl-3-nitropyridine-1-oxide by undergoing biotransformation by Cunninghamella elegans ATCC 26269.

一般的な説明The crystal structure of 2-amino-4-methyl-3-nitropyridine was elucidated.