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Safety Information

253839

Sigma-Aldrich

3-Acetylbenzoic acid

98%

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About This Item

Linear Formula:
CH3COC6H4CO2H
CAS Number:
586-42-5
Molecular Weight:
164.16
MDL number:
MFCD00045847
UNSPSC Code:
12352100
PubChem Substance ID:
24855333
NACRES:
NA.22

Quality Level

100

Assay

98%

mp

169-171 °C (lit.)

functional group

carboxylic acid
ketone

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

253839-VAR:
253839-BULK:
253839-5G:
253839-1G:

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Certificates of Analysis (COA)

Lot/Batch Number
06828TD
U17582
05905MC
18805AO
10327BC

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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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