4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine

HCID 3306907

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4595-69-1
標準SMILES: Cc1cc(Cl)nc(C(C)C)n1
InChIKey: PJCDNTVCCXJUAC-UHFFFAOYSA-N
分子式: C8H11ClN2
平均分子量: 170.64 g/mol
単同位体質量: 170.06107603

名称と識別子

優先名称: 4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
IUPAC: 4-chloro-6-methyl-2-propan-2-ylpyrimidine
英語名: 4-Chloro-2-isopropyl-6-methylpyrimidine
分子式: C8H11ClN2
分子量: 170.64

名称と別名

4-chloro-6-methyl-2-(propan-2-yl)pyrimidineRefChem:521635821-707-84-chloro-2-isopropyl-6-methylpyrimidine4595-69-14-chloro-6-methyl-2-propan-2-ylpyrimidineMFCD02685656Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-4-Chloro-2-isopropyl-6-methyl-pyrimidine4-Chloro-6-methyl-2-isopropylpyrimidine4-Chloro-6-methyl-2-(1-methylethyl)pyrimidine;HMS1744D12

名称をさらに表示

4-Chloro-6-methyl-2-(1-methylethyl)pyrimidine4-chloro-2-isopropyl-6-methylpyrimidine(SALTDATA: FREE)

Pyrimidine,4-chloro-6-methyl-2-(1-methylethyl)-SCHEMBL1586144DTXSID20391285PJCDNTVCCXJUAC-UHFFFAOYSA-NEAA59569AKOS000122974SB55864SY147825

データベース識別子

CAS: 4595-69-1
PubChem CID: 3306907
DTXSID: DTXSID20391285
EC Number: 821-707-8

物性

構造計算による物性

XLogP: 2.7
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: 11
形式電荷: 0
複雑度: 127

物理化学的性質

沸点: 84 · 84-85 °C(Press: 12 Torr)
比重(密度): 1.106 · 1.106±0.06 g/cm3(Predicted)
溶解性: Acetonitrile (Very Slightly), DMSO (Slightly)
外見: Oil
酸解離定数(Pka): 1.14 · 1.14±0.30(Predicted)
色: Clear Colourless to Light Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933599590

化学と産業

応用分野

使用4-Chloro-2-isopropyl-6-methylpyrimidine, is an intermediate used for the synthesis of some novel pyrimidine derivatives, having antifungal activities.