CAS 42521-10-8 Methyl 2-chloro-6-methoxyisonicotinate (HCID 13339618)

基本情報

CAS: 42521-10-8
標準SMILES: COC(=O)c1cc(Cl)nc(OC)c1
InChIKey: DAPAXVAUEVRBGS-UHFFFAOYSA-N
分子式: C8H8ClNO3
平均分子量: 201.61 g/mol
単同位体質量: 201.0192708

名称と識別子

優先名称: Methyl 2-chloro-6-methoxyisonicotinate
IUPAC: methyl 2-chloro-6-methoxypyridine-4-carboxylate
現地名: 2-クロロ-6-メトキシイソニコチン酸メチル
英語名: METHYL 2-CHLORO-6-METHOXYPYRIDINE-4-CARBOXYLATE
分子式: C8H8ClNO3
分子量: 201.61

名称と別名

methyl 2-chloro-6-methoxyisonicotinate42521-10-8methyl 2-chloro-6-methoxypyridine-4-carboxylateMFCD00173929Methyl2-chloro-6-methoxyisonicotinate2-CHLORO-6-METHOXY-ISONICOTINICACIDMETHYLESTERDTXSID00537402AKOS005072979methyl-2-chloro-6-methoxyisonicotinateAB043823-HYDROXY-2-METHOXYFLAVONE2-Chloro-6-methoxy-isonicotinic acid methyl ester

名称をさらに表示

2-クロロ-6-メトキシイソニコチン酸メチル2-chloro-6-methoxyisoacidmethyl ester2-(2-chloro-6-methoxypyridin-4-yl)acetic acid2-Chloro-6-methoxyisonicotinic acid methyl esterMethyl2-chloro-6-methoxypyridine-4-carboxylate,98%4-Pyridinecarboxylic acid, 2-chloro-6-methoxy-, methyl esterMethyl 2-chloro-6-methoxyisonicotinate 2-Chloro-6-methoxyisonicotinic acid methyl esterMethyl 2-chloro-6-methoxypyridine-4-carboxylate, 2-Chloro-6-methoxy-4-(methoxycarbonyl)pyridine

methyl (2-chloro-6-methoxypyridin-4-yl)carboxylateSCHEMBL567975SCHEMBL6964278SCHEMBL31287794DAPAXVAUEVRBGS-UHFFFAOYSA-NCL0091SBB092816HA-0921

データベース識別子

CAS: 42521-10-8
PubChem CID: 13339618
DTXSID: DTXSID00537402
EC Number: 670-264-5

物性

構造計算による物性

XLogP: 2
極性表面積: 48.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 188

物理化学的性質

融点: 97.5 ° · 97.5°
沸点: 281 ℃ · 281℃
比重(密度): 1.288 · 1.288
闪点: 124 ℃ · 124℃
貯蔵温度: 2 · Storage temp. 2-8°C
外見: powder
酸解離定数(Pka): -0.89 · -0.89±0.10(Predicted)
色: White fibrous

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.