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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號碼:
274-109-9
MDL號碼:
MFCD00003359
分類程式碼代碼:
12352100
PubChem物質ID:
24851725
NACRES:
NA.22

化驗

98%

形狀

solid

折射率

n20/D 1.57 (lit.)

bp

152 °C/0.4 mmHg (lit.)

密度

0.984 g/mL at 25 °C (lit.)

SMILES 字串

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 密鑰

YZIHNHLGGMSWAD-UHFFFAOYSA-N

應用

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.

象形圖

Environment
GHS09

訊號詞

Warning

危險聲明

H400

防範說明

P273

危險分類

Aquatic Acute 1

儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

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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