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Merck
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195928

Sigma-Aldrich

3-(4-叔丁基苯氧基)苯甲醛

98%

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About This Item

线性分子式:
(CH3)3CC6H4OC6H4CHO
CAS号:
69770-23-6
分子量:
254.32
EC 号:
274-109-9
MDL编号:
MFCD00003359
UNSPSC代码:
12352100
PubChem化学物质编号:
24851725
NACRES:
NA.22

方案

98%

表单

solid

折射率

n20/D 1.57 (lit.)

沸点

152 °C/0.4 mmHg (lit.)

密度

0.984 g/mL at 25 °C (lit.)

SMILES字符串

CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1

InChI

1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3

InChI key

YZIHNHLGGMSWAD-UHFFFAOYSA-N

应用

3-(4-tert-Butylphenoxy)benzaldehyde was used in high-throughput parallel synthesis of library compounds for early drug discovery. It was also used in purification platform developed by ArQule that is based on reverse phase high performance liquid chromatography separation and mass directed fractionation.

象形图

Environment
GHS09

警示用语：

Warning

危险声明

H400

预防措施声明

P273

危险分类

Aquatic Acute 1

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
04529DJ
16014PD
12207MS
06410PF
02315CI

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James N Kyranos et al.
Journal of combinatorial chemistry, 6(5), 796-804 (2004-09-14)
High-throughput parallel synthesis of library compounds for early drug discovery requires high-throughput analytical methods to confirm synthesis, identify reaction products, and determine purity. An ultrafast 1.0-min HPLC/UV/ELSD/MS method was developed and compared to our standard 2.5- and 5.0-min methods in
High throughput HPLC/MS purification in support of drug discovery
Goetzinger W, et al.
International Journal of Mass Spectrometry, 238(2), 153-162 (2004)

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