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Sigma-Aldrich

3-Acetylbenzoic acid

98%

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About This Item

Linear Formula:
CH3COC6H4CO2H
CAS Number:
Molecular Weight:
164.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

mp

169-171 °C (lit.)

SMILES string

CC(=O)c1cccc(c1)C(O)=O

InChI

1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)

InChI key

CHZPJUSFUDUEMZ-UHFFFAOYSA-N

Application

3-Acetylbenzoic acid has been used in preparation of 3-(2-hydroxyethyl)benzyl alcohol and methyl 3-acetylbenzoate.

Storage Class Code

11 - Combustible Solids

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Yanong D Wang et al.
Bioorganic & medicinal chemistry, 17(5), 2091-2100 (2009-02-10)
Checkpoint deficiency of malignant cells can be exploited in cancer drug discovery. Compounds that selectively kill checkpoint-deficient cells versus checkpoint-proficient cells can be utilized to preferentially target tumor cells, while sparing normal cells. The protein p21(Wafl/Cipl/Sdi1) (hereafter referred to as
Vincenzo Calderone et al.
The Journal of pharmacy and pharmacology, 60(2), 189-195 (2008-02-02)
This work describes the synthesis of some benzoic (1-4) and alcoholic (5-7) nitrooxy derivatives, which are nitric oxide (NO) donors in themselves, and can also be seen as useful linkers that can be used in multi-target drugs capable of releasing

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