CAS 4214-80-6 5-chloro-N-methylpyridin-2-amine (HCID 3837024)

基本情報

CAS: 4214-80-6
標準SMILES: CNc1ccc(Cl)cn1
InChIKey: KSISYWKRGRATSK-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: 5-chloro-N-methylpyridin-2-amine
IUPAC: 5-chloro-N-methylpyridin-2-amine
現地名: 5-クロロ-N-メチル-2-ピリジンアミン
英語名: 5-chloro-N-methylpyridin-2-amine
分子式: C6H7ClN2
分子量: 142.59

名称と別名

5-chloro-N-methylpyridin-2-amine4214-80-6DTXSID903971135-chloro-N-methyl-2-pyridinamineRefChem:534935DTXCID50347972867-605-75-Chloro-2-methylaminopyridine5-Chloro-N-methyl-2-pyridineamineMFCD00955783AKOS000431604AB07756

名称をさらに表示

5-クロロ-N-メチル-2-ピリジンアミン5-クロロ-2-メチルアミノピリジン5-クロロ-N-メチルピリジン-2-アミンUKRORGSYN-BB BBR-0095062-PyridinaMine, 5-chloro-N-Methyl-5-Chloro-N-methylpyridin-2-ylamine(5-Chloro-pyridin-2-yl)-methyl-amine

DS-7043EN300-72983C75129Z3592976325-Chloro-2-(methylamino)pyridine5-Chloro-2-(methylamino)pyridine; 5-Chloro-N-methyl-2-pyridineamine; 5-Chloro-N-methylpyridin-2-amine;5-chloro-N-methyl-pyridin-2-amineFT-0664767

データベース識別子

CAS: 4214-80-6
PubChem CID: 3837024
DTXSID: DTXSID90397113
EC Number: 867-605-7
Nikkaji: J1.293.506D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 24.9 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: 1
重原子数: 9
形式電荷: 0
複雑度: 87.1

物理化学的性質

融点: 63 · 63-65°C
沸点: 247 ℃ · 247℃
比重(密度): 1.25 · 1.250
闪点: 103 ℃ · 103℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO、メタノール
外見: 個体
酸解離定数(Pka): 5 · 5.00±0.10(Predicted)
色: オフホワイト
InChI: InChI=1S/C6H7ClN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
InChIKey: KSISYWKRGRATSK-UHFFFAOYSA-N
SMILES: C1(NC)=NC=C(Cl)C=C1

化学的性質

化学的特性Off-White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.