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308080

Sigma-Aldrich

Benzoylnitromethane

98%

Synonym(s):

α-Nitroacetophenone

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About This Item

Linear Formula:
C6H5COCH2NO2
CAS Number:
614-21-1
Molecular Weight:
165.15
MDL number:
MFCD00010218
UNSPSC Code:
12352100
PubChem Substance ID:
24858646
NACRES:
NA.22

Assay

98%

mp

105-107 °C (lit.)

storage temp.

2-8°C

SMILES string

[O-][N+](=O)CC(=O)c1ccccc1

InChI

1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2

InChI key

JTWHVBNYYWFXSI-UHFFFAOYSA-N

Related Categories

General description

The kinetics of proton transfer from benzoylnitromethane to various bases was studied.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

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

308080-1KG:
308080-5G:
308080-25G:
308080-BULK:
308080-VAR:

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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Claude F. Bernasconi et al.
The Journal of organic chemistry, 62(23), 8162-8170 (2001-10-24)
The replacement of a hydrogen in nitromethane and in phenylnitromethane by the PhCO group has a strong acidifying effect, i.e., PhCOCH(2)NO(2), 5, is 5.8, 6.6, and 8.6 pK(a) units more acidic than CH(3)NO(2) in water, 50% DMSO-50% water (v/v), and
Parham Taslimi
Archiv der Pharmazie, 353(11), e2000210-e2000210 (2020-09-03)
In this study, the acetophenone derivatives 1-6 were found to be effective inhibitor molecules for α-glycosidase, human carbonic anhydrases I and II (hCA I/II), and acetylcholinesterase (AChE), with Ki values in the range of 167.98 ± 25.06 to 304.36 ± 65.45 µM for α-glycosidase, 555.76 ± 56.07

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