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About This Item
Linear Formula:
(CH3)3CC6H4OC6H4CHO
CAS Number:
Molecular Weight:
254.32
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
form
solid
refractive index
n20/D 1.57 (lit.)
bp
152 °C/0.4 mmHg (lit.)
density
0.984 g/mL at 25 °C (lit.)
SMILES string
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
Application
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Acute 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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High throughput HPLC/MS purification in support of drug discovery
Goetzinger W, et al.
International Journal of Mass Spectrometry, 238(2), 153-162 (2004)
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
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