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4'-Nitroacetophenone

CAT: 0804-HY-Y0185-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0185-02Size:1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4'-Nitroacetophenone is a nitroaromatic compound. 4'-Nitroacetophenone is an important organic synthetic intermediate, which can be used for the synthesis of other active compounds such as Chloramphenicol[2][3].
CAS Number
100-19-6
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents; Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/4-nitroacetophenone.html
Purity
99.93
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
CC(C1=CC=C([N+]([O-])=O)C=C1)=O
Molecular Formula
C8H7NO3
Molecular Weight
165.15
Precautions
H302, H315, H319, H335
References & Citations
[1]KLOSA J. et al [Studies on the exchange of diazonium group with nitro group for the preparation of p-nitroacetophenone. III. Synthesis of chloramphenicol]. Arch Pharm Ber Dtsch Pharm Ges. 1953;286 (8) :416-8. Undetermined Language.|[2]Pérez-Rebolledo A, et al. 4-nitroacetophenone-derived thiosemicarbazones and their copper (II) complexes with significant in vitro anti-trypanosomal activity. Eur J Med Chem. 2008 May;43 (5) :939-48.|[3]Alam A, et al. Novel Bis-Schiff's base derivatives of 4-nitroacetophenone as potent α-glucosidase agents: Design, synthesis and in silico approach. Bioorg Chem. 2022 Nov;128:106058.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

p-Nitroacetophenone

4-nitroacetophenone is a member of the class of acetophenones that is acetophenone substituted at the para-position by a nitro group. It is a member of acetophenones and a C-nitro compound.

CAS Number100-19-6
PubChem CID7487
IUPAC Name1-(4-nitrophenyl)ethanone
Molecular FormulaC8H7NO3
Molecular Weight165.15
XLogP1.5
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity189
SMILES
CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChIKey
YQYGPGKTNQNXMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Nitroacetophenone
CAS: 100-19-6
CID: 7487
Formula: C8H7NO3
MW: 165.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.15
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass165.042593085
Monoisotopic Mass165.042593085
Topological Polar Surface Area62.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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