2-クロロ-6-メチルピリミジン-4-カルボン酸メチル

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

HCID 2736835

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 89793-11-3
標準SMILES: COC(=O)c1cc(C)nc(Cl)n1
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
分子式: C7H7ClN2O2
平均分子量: 186.59 g/mol
単同位体質量: 186.01960514

名称と識別子

優先名称: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
IUPAC: methyl 2-chloro-6-methylpyrimidine-4-carboxylate
現地名: 2-クロロ-6-メチルピリミジン-4-カルボン酸メチル
英語名: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
分子式: C7H7ClN2O2
分子量: 186.6

名称と別名

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate89793-11-3DTXSID10371637RefChem:354202DTXCID80322671672-864-2methyl 2-chloro-6-methyl-pyrimidine-4-carboxylateMFCD001179064-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-, METHYL ESTERSCHEMBL350485ZNPORLVPCMFKOR-UHFFFAOYSA-NSBB053955

名称をさらに表示

2-クロロ-6-メチルピリミジン-4-カルボン酸メチル2‐クロロ‐6‐メチルピリミジン‐4‐カルボン酸メチルBUTTPARK 43\57-822-Chloro-4-(methoxycarbonyl)-6-methylpyrimidineMethyl 2-chloro-6-methyl-4-pyrimidinecarboxylateMETHYL 2-CHLORO-4-METHYL-PYRIMIDINE-6-CARBOXYLATEEthyl 3-(trifluoromethyl)-1h-pyrazol-4-carboxylateMethyl 2-chloro-6-MethylpyriMidine-4-carboxylate 97%Methyl 2-chloro-6-methylpyrimidine-4-carboxylate ,98%Methyl 2-chloro-4-methylpyrimidine-6-carboxylate, HPLC +97%methyl 2-chloro-6-methyl-pyrimidine-4-carboxylate - [M87810]

AKOS005135922AB03487PS-3558CS-10727SY1626952-chloro-4-carbomethoxy-6-methylpyrimidineDB-015363CS-0045865

データベース識別子

CAS: 89793-11-3
PubChem CID: 2736835
DTXSID: DTXSID10371637
EC Number: 672-864-2
Nikkaji: J2.315.183I

物性

構造計算による物性

XLogP: 1.8
極性表面積: 52.1 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: 2
重原子数: 12
形式電荷: 0
複雑度: 177

物理化学的性質

融点: 108 · 108-113 °C
沸点: 306.5 · 306.5±22.0 °C(Predicted)
比重(密度): 1.314 · 1.314±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Storage temp. -20°C
酸解離定数(Pka): -3.06 · -3.06±0.30(Predicted)
外見: Solid
InChI: 1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(C)nc(Cl)n1
CAS データベース: 89793 · 89793-11-3

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.