6-メチル-2-ピリジンカルボン酸メチル

Methyl 6-methylpyridine-2-carboxylate

HCID 73022CAS 13602-11-4

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1cccc(C)n1
InChIKey: CYWIZMOZBTXFIL-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
単同位体質量: 151.06332853

名称と識別子

優先名称: Methyl 6-methylpyridine-2-carboxylate
IUPAC: methyl 6-methylpyridine-2-carboxylate
現地名: 6-メチル-2-ピリジンカルボン酸メチル
英語名: methyl 6-methylpyridine-2-carboxylate
分子式: C8H9NO2
分子量: 151.16

名称と別名

Methyl 6-methylpyridine-2-carboxylate13602-11-4Methyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid methyl esterMethyl 6-methyl-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 6-methyl-, methyl ester6-methylpicolinic acid methyl esterH33TY2BZE4NSC-109151EINECS 237-085-0UNII-H33TY2BZE4NSC 109151

名称をさらに表示

6-メチル-2-ピリジンカルボン酸メチル6-メチルピリジン-2-カルボン酸メチル6-メチルピコリン酸メチル6-メチルピリジン-2-カルボン酸メチル, 96%メチル 6-メチルピリジン-2-カルボキシラートMethyl-6-methylpyridin-2-carboxylatMETHYL-6-MENTHYPYRIDINE-2-CARBOXYLATEMethyl6-Methylpyridine-2-carboxylate>Methyl6-methylpyridine-2-carboxylate,96%6-methyl-2-pyridinecarboxylic acid ester

2-METHYL-6-METHOXYCARBONYLPYRIDINEDTXSID90159632PICOLINIC ACID, 6-METHYL-, METHYL ESTER6-METHYLPYRIDIN-2-CARBOXYLIC ACID METHYL ESTERRefChem:157725DTXCID8082123237-085-0MFCD06203670

データベース識別子

CAS: 13602-11-4
PubChem CID: 73022
DTXSID: DTXSID90159632
UNII: H33TY2BZE4
EC Number: 237-085-0
Nikkaji: J277.952H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 39.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 18 °C · 18 °C
沸点: 242 ℃ · 242℃
比重(密度): 1.104 · 1.104
屈折率: 1.516 · 1.5160-1.5200
闪点: 100 ℃ · 100℃
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to lump to clear liquid
酸解離定数(Pka): 1.93 · 1.93±0.10(Predicted)
色: White or Colorless to Light yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (25%)

安全データ

hs_code: 2933399990
消防法: 危-4-3-III

化学と産業

応用分野

使用Methyl 6-Methylpyridine-2-carboxylate is a reagent used in the sunthesis of antitumor agents based upon the dihydropyrrolopyrazole compounds. Also used in the synthesis of quinazolinone TGF-β inhibitors.