4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline

HCID 688301CAS 84392-32-5

基本情報

標準SMILES: Cc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1
InChIKey: JUNZDJNCZJUDRU-UHFFFAOYSA-N
分子式: C18H19NO
平均分子量: 265.3 g/mol
単同位体質量: 265.14666423

名称と識別子

優先名称: 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
IUPAC: 4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
英語名: 4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
分子式: C18H19NO
分子量: 265.35

名称と別名

4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazolineRefChem:507392632-891-284392-32-54,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole4,4-Dimethyl-2-(4'-methyl-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole4,4-Dimethyl-2-(4'-methyl[1,1'-biphenyl]-2-yl)-4,5-dihydro-1,3-oxazoleDMT-dT-CPG column, pore size 1000 ??, 50 nmol, configured for MerMadeDTXSID90350869JUNZDJNCZJUDRU-UHFFFAOYSA-NAKOS0002785104,4-Dimethyl-2-(4'-methylbiphenyl-2-yl)oxazoline

名称をさらに表示

DMT-dT-CPG column4,4-dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoli4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazoleOxazole, 4,5-dihydro-4,4-dimethyl-2-(4'-methyl[1,1'-biphenyl]-2-yl)-

4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline, 98%DMT-dT-CPG column, pore size 1000 ??, 0.2 mumol, configured for MerMadeDMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for MerMadeDMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for MerMadeDMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for PerkinElmerDMT-dT-CPG column, pore size 500 ??, 0.2 mumol, configured for PerkinElmer, configured for ABIDMT-dT-CPG column, pore size 500 ??, 1 mumol, configured for PerkinElmer, configured for ABIDMT-dT-CPG column, pore size 500 ??, 50 nmol, configured for PerkinElmer, configured for ABI

データベース識別子

CAS: 84392-32-5
PubChem CID: 688301
DTXSID: DTXSID90350869
EC Number: 632-891-2
Nikkaji: J1.640.702J

物性

構造計算による物性

XLogP: 4
極性表面積: 21.6 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: 2
重原子数: 20
形式電荷: 0
複雑度: 366

物理化学的性質

融点: 45 · 45-48 °C(lit.)
沸点: 406.6 · 406.6±24.0 °C(Predicted)
比重(密度): 1.05 · 1.05±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4 · 4+-.0.70(Predicted)

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.