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Sigma-Aldrich

3′,4′-Dimethylacetophenone

98%

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Linear Formula:
(CH3)2C6H3COCH3
CAS Number:
Molecular Weight:
148.20
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.538 (lit.)

bp

243 °C (lit.)

density

1.001 g/mL at 25 °C (lit.)

SMILES string

CC(=O)c1ccc(C)c(C)c1

InChI

1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3

InChI key

WPRAXAOJIODQJR-UHFFFAOYSA-N

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This Item
546402T6810192220
form

liquid

form

-

form

-

form

liquid

refractive index

n20/D 1.538 (lit.)

refractive index

-

refractive index

-

refractive index

n20/D 1.517 (lit.)

bp

243 °C (lit.)

bp

-

bp

173-174 °C/10 mmHg (lit.)

bp

235-236 °C (lit.), 61-62 °C/0.1 mmHg (lit.)

density

1.001 g/mL at 25 °C (lit.)

density

-

density

-

density

0.975 g/mL at 25 °C (lit.)

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

Application

3′,4′-Dimethylacetophenone was used as starting reagent in the synthesis of 4-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenecarboxyamide.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

217.4 °F - closed cup

Flash Point(C)

103.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Jiuxiang Zhu et al.
Journal of the National Cancer Institute, 94(23), 1745-1757 (2002-12-05)
The cyclooxygenase-2 (COX-2) inhibitor celecoxib is thought to act as a chemopreventive agent by sensitizing cancer cells to apoptotic signals. Other COX-2 inhibitors, such as rofecoxib, are two orders of magnitude less potent than celecoxib at inducing apoptosis. The molecular
Shakila K Evans et al.
Chemical biology & drug design, 75(3), 333-337 (2010-07-28)
Acetophenones were screened for activity against positive phototaxis of Chlamydomonas cells, a process that requires co-ordinated flagellar motility. The structure-activity relationships of a series of acetophenones are reported, including acetophenones that affect flagellar motility and cell viability. Notably, 4-methoxyacetophenone, 3,4-dimethoxyacetophenone

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