253839

Sigma-Aldrich

3-Acetylbenzoic acid

98%

Linear Formula:
CH3COC6H4CO2H
CAS Number:
Molecular Weight:
164.16
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

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

Related Categories

Application

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

Packaging

1, 5 g in glass bottle

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis
Certificate of Origin
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...
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...

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