2,4-Dichloro-6-methylpyrimidine (HCID 79471)

名称と識別子

優先名称: 2,4-Dichloro-6-methylpyrimidine
IUPAC: 2,4-dichloro-6-methylpyrimidine
現地名: 2,4-ジクロロ-6-メチルピリミジン
英語名: 2,4-Dichloro-6-methylpyrimidine
分子式: C5H4Cl2N2
分子量: 163

名称と別名

2,4-Dichloro-6-methylpyrimidinePyrimidine, 2,4-dichloro-6-methyl-NSC 13199AI3-26572EINECS 226-563-4DTXSID0063868RefChem:82361DTXCID5041647226-563-4BTLKROSJMNFSQZ-UHFFFAOYSA-N5424-21-52,6-Dichloro-4-methylpyrimidine

名称をさらに表示

2,4-ジクロロ-6-メチルピリミジン2,6-ジクロロ-4-メチルピリミジン2，4‐ジクロロ‐6‐メチルピリミジンAKOS BBS-000058394-Dichloro-6-MethylpyriMidine2,4-DICHLORO-6-METHYLPYRIMIDE2,4-dichloro-6-methyl-pyrimidin2,4-Dichloro-6-methyl-1,3-diazine2,4-Dichloro-6-methylpyrimidine>

2,4-dichloro-6-methyl-pyrimidineMFCD00006064NSC-131996-methyl-2,4-dichloropyrimidineNSC131996N8JD43WQQSCHEMBL1047862,4-Dichloro6-methylpyrimidine

データベース識別子

CAS: 5424-21-5
PubChem CID: 79471
DTXSID: DTXSID0063868
UNII: 6N8JD43WQQ
EC Number: 226-563-4
Nikkaji: J218.008A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

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: 44 · 44-47 °C (lit.)
沸点: 219 °C · 219 °C (lit.)
比重(密度): 1.5462 · 1.5462 (rough estimate)
屈折率: 1.63 · 1.6300 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Chloroform (Very Slightly, Heated, Sonicated), DMSO (Sparingly, Heated)
外見: powder to crystal
酸解離定数(Pka): -2.12 · -2.12±0.30(Predicted)
色: White to Orange to Green
水溶解度: クロロホルム、エーテル、酢酸エチル、トルエンに可溶。水に不溶。
BRN: 114295 · 114295
InChI: InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey: BTLKROSJMNFSQZ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(Cl)=N1
CAS データベース: 5424 · 5424-21-5(CAS DataBase Reference)
EPAの化学物質情報: 2 · Pyrimidine, 2,4-dichloro-6-methyl- (5424-21-5)

化学的性質

化学的特性White to Light Yellow Powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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 CategoriesSkin Corr. 1B (98%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3263 8/PG 2
hs_code: 29335990
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationPyrimidine, 2,4-dichloro-6-methyl-: INACTIVE

応用分野 · 2 件

使用2,4-Dichloro-6-methylpyrimidine is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine.

一般的な説明2,4-Dichloro-6-methylpyrimidine undergoes double cross-coupling reaction with 2-(tributylstannyl)pyridine, followed by aldol condensation to yield 4-arylvinyl-2,6-di(pyridin-2-yl)pyrimidines. It reacts with 1H,1H,2H,2H-perfluorodecanethiol during fluorous synthesis of disubstituted pyrimidines.

上流・下流製品情報

上流原料

2-Pyrimidinamine, 4-chloro-N,N-diethyl-6-methyl-2-Pyrimidinamine, 4-chloro-N,6-dimethyl-N-phenyl-2-chloro-N,6-dimethyl-N-phenylpyrimidin-4-amine 2-メチルチオ-5-ブロモ-6-メチルピリミジン-4(3H)-オン 6-Methyl-2-(methylthio)pyrimidin-4-ol 5-ブロモ-2,4-ジクロロ-6-メチルピリミジン 5-ブロモ-6-メチル-2,4(1H,3H)-ピリミジンジオントリブチルアミン 6-メチルウラシル

下流製品

2-Amino-6-methyl-pyrimidine-4-thiol 6-Methyl-2-(methylsulfanyl)pyrimidin-4-ylamine 2-Chloro-6-methylpyrimidin-4-amine 2-クロロ-4-ジメチルアミノ-6-メチルピリミジン 4-Amino-6-methylpyrimidine-2-thiol 2-クロロ-6-メチルピリミジン-4-イルアミン

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2,4-ジクロロ-6-メチルピリミジン

基本情報