CAS 6320-15-6 4-Chloro-2,6-dimethoxypyrimidine (HCID 80600)

基本情報

CAS: 6320-15-6
標準SMILES: COc1cc(Cl)nc(OC)n1
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
分子式: C6H7ClN2O2
平均分子量: 174.58 g/mol
単同位体質量: 174.01960514

名称と識別子

優先名称: 4-Chloro-2,6-dimethoxypyrimidine
IUPAC: 4-chloro-2,6-dimethoxypyrimidine
現地名: 6-クロロ-2,4-ジメトキシピリミジン
英語名: 6-CHLORO-2,4-DIMETHOXYPYRIMIDINE
分子式: C6H7ClN2O2
分子量: 174.59

名称と別名

4-Chloro-2,6-dimethoxypyrimidine6320-15-66-Chloro-2,4-dimethoxypyrimidinePyrimidine, 4-chloro-2,6-dimethoxy-EINECS 228-669-6NSC 317964-Chlor-2,6-dimethoxypyrimidinDTXSID60212561RefChem:98323DTXCID90135052228-669-6JHNRTJRDRWKAIW-UHFFFAOYSA-N

名称をさらに表示

6-クロロ-2,4-ジメトキシピリミジン2,4-ジメトキシ-6-クロロピリミジン4-クロロ-2,6-ジメトキシピリミジン2,6-ジメトキシ-4-クロロピリミジン6-クロロ-2,4-ジメトキシピリミジン塩化物AURORA KA-49164-diMethoxy pyriMidine6-chloro-2, 4-methoxypyrimidine6-chloro-2,4-dimethixypyrimidine

2,4-Dimethoxy-6-chloropyrimidineMFCD000060684-chloro-2,6-dimethoxy-pyrimidine2,6-dimethoxy-4-chloropyrimidine2,4-Dimethoxy-6-chloropyrimidine; 2,6-Dimethoxypyrimidin-4-yl chloride; 6-Chloro-2,4-dimethoxypyrimidine; NSC 31796NSC31796SCHEMBL105629SCHEMBL7688147

データベース識別子

CAS: 6320-15-6
PubChem CID: 80600
DTXSID: DTXSID60212561
EC Number: 228-669-6
Nikkaji: J149.396E

物性

構造計算による物性

XLogP: 1.8
極性表面積: 44.2 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: 11
形式電荷: 0
複雑度: 125

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 74 · 74-76 °C(lit.)
沸点: 280.6 · 280.6±43.0 °C(Predicted)
比重(密度): 1.285 · 1.285±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、酢酸エチル、メタノールに可溶。
外見: 個体
酸解離定数(Pka): -1.92 · -1.92±0.30(Predicted)
色: 白い
BRN: 137581 · 137581
InChI: InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
SMILES: C1(OC)=NC(OC)=CC(Cl)=N1
CAS データベース: 6320 · 6320-15-6(CAS DataBase Reference)

化学的性質

化学的特性White powder or flakes

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 6 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29335995
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明6-Chloro-2,4-dimethoxypyrimidine serves as a key intermediate in pharmaceuticals, pesticides and fine chemical engineering. It is commonly used in the synthesis of sulfonylurea herbicides , and also applied to the preparation of pyrimidine ring-containing pharmaceutically active molecules. In addition, it acts as a heterocyclic building block to participate in the construction of pyrimidine derivatives, which is suitable for the research, development and production of functional molecules in organic synthesis and materials chemistry.

使用It is used in the synthesis of silyl and stannyl pyrimidines.