2-アミノ-5-クロロ-6-メチルピリジン

2-Amino-5-chloro-6-methylpyridine

HCID 12251007CAS 36936-23-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc(N)ccc1Cl
InChIKey: SHIKRPPKGCWKJO-UHFFFAOYSA-N
分子式: C6H7ClN2
平均分子量: 142.58 g/mol
単同位体質量: 142.0297759

名称と識別子

優先名称: 2-Amino-5-chloro-6-methylpyridine
IUPAC: 5-chloro-6-methylpyridin-2-amine
現地名: 2-アミノ-5-クロロ-6-メチルピリジン
英語名: 2-Amino-5-chloro-6-picoline
分子式: C6H7ClN2
分子量: 142.59

名称と別名

2-AMINO-5-CHLORO-6-METHYLPYRIDINERefChem:464558803-766-15-chloro-6-methylpyridin-2-amine36936-23-95-CHLORO-6-METHYL-2-PYRIDINAMINEMFCD094533356-Amino-3-chloropicoline2-Amino-5-chloro-6-picoline2-Pyridinamine, 5-chloro-6-methyl-2-Amino-5-Chloro-6-Methyl PyridineSCHEMBL558598

名称をさらに表示

2-アミノ-5-クロロ-6-メチルピリジン6-アミノ-3-クロロ-2-ピコリン5-クロロ-6-メチル-2-ピリジンアミン6-Amino-3-chloropicolline2-AMINO 5-CHLORO PICOLINE2-Amino-5-chloro-6-methylpyridi6-Amino-3-chloro-2-methylpyridine5-Chloro-6-methyl-2-aminopyridine

6-Amino-3-chloro-2-picoline5-chloro-6-methyl-pyridineamineDTXSID50482438SHIKRPPKGCWKJO-UHFFFAOYSA-N5-chloro-6-methyl-pyridin-2-amineSTL119698AKOS000108170AB50593

データベース識別子

CAS: 36936-23-9
PubChem CID: 12251007
DTXSID: DTXSID50482438
EC Number: 803-766-1

物性

構造計算による物性

XLogP: 1.5
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 97

物理化学的性質

融点: 70 · 70-75℃
沸点: 234.2 · 234.2±35.0 °C(Predicted)
比重(密度): 1.26 · 1.260±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
外見: powder to crystal
酸解離定数(Pka): 4.83 · 4.83±0.37(Predicted)
色: White to Orange to Green
InChI: InChI=1S/C6H7ClN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKey: SHIKRPPKGCWKJO-UHFFFAOYSA-N
SMILES: C1(N)=NC(C)=C(Cl)C=C1

化学的性質

化学的特性Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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.