2-Chloro-4-isopropylpyrimidine

HCID 24901916CAS 941294-36-6

基本情報

標準SMILES: CC(C)c1ccnc(Cl)n1
InChIKey: AOZNIFQUCUSYLD-UHFFFAOYSA-N
分子式: C7H9ClN2
平均分子量: 156.61 g/mol
単同位体質量: 156.04542597

名称と識別子

優先名称: 2-Chloro-4-isopropylpyrimidine
IUPAC: 2-chloro-4-propan-2-ylpyrimidine
英語名: 2-Chloro-4-isopropylpyrimidine
分子式: C7H9ClN2
分子量: 156.61

名称と別名

2-Chloro-4-isopropylpyrimidineRefChem:469029689-830-8941294-36-62-chloro-4-propan-2-ylpyrimidineMFCD094759132-chloro-4-(propan-2-yl)pyrimidineSCHEMBL558541DTXSID20647890AC7374GS2555AKOS006343276

名称をさらに表示

2-Chloro-4-isopropylpyrimidine97%Pyrimidine, 2-chloro-4-(1-methylethyl)-2-Chloro-4-(prop-2-yl)pyrimidine, 2-Chloro-4-isopropyl-1,3-diazine

SB57580PS-11845SY0233392-chloro-4-isopropylDA-00516CS-0197524F633919

データベース識別子

CAS: 941294-36-6
PubChem CID: 24901916
DTXSID: DTXSID20647890
EC Number: 689-830-8
Nikkaji: J3.391.478D

物性

構造計算による物性

XLogP: 2.3
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: 1
重原子数: 10
形式電荷: 0
複雑度: 106

物理化学的性質

沸点: 247.7 · 247.7±9.0 °C(Predicted)
比重(密度): 1.135 · 1.135±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -0.87 · -0.87±0.20(Predicted)
外見: liquid
色: Colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 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. 3 (50%)

安全データ

hs_code: 2933599590

化学と産業

応用分野

使用2-Chloro-4-isopropylpyrimidine is used as a reactant in the preparation of arylamino-azaspiro-oxazole octanes as α7 nicotinic agonists.

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