Cas no 4551-76-2 (4-Methyl-3,5-dinitrobenzamide)

4-Methyl-3,5-dinitrobenzamide is a nitro-substituted benzamide derivative with applications in organic synthesis and pharmaceutical research. Its key structural features include a methyl group at the 4-position and nitro groups at the 3- and 5-positions, which contribute to its reactivity and potential as an intermediate in the preparation of more complex compounds. The compound's nitro groups enhance its electrophilic properties, making it useful in nucleophilic substitution and reduction reactions. Its crystalline solid form ensures stability under standard conditions, facilitating handling and storage. Researchers value this compound for its role in developing agrochemicals, dyes, and bioactive molecules, leveraging its well-defined chemical properties for precise synthetic applications.

4-Methyl-3,5-dinitrobenzamide structure

Product Name:4-Methyl-3,5-dinitrobenzamide

CAS No:4551-76-2

MF:C₈H₇N₃O₅

MW:225.158281564713

CID:1088641

PubChem ID:3318698

Update Time:2025-06-07

4-Methyl-3,5-dinitrobenzamide Chemical and Physical Properties

Names and Identifiers

- 4-Methyl-3,5-dinitrobenzamide
- benzamide, 4-methyl-3,5-dinitro-
- benzamide, 3,5-dinitro-4-methyl-
- ALBB-023181
- SCHEMBL4638638
- DTXSID90391414
- STK392167
- 4551-76-2
- LS-07252
- 4-Methyl-3,5-dinitro-benzamide
- AKOS000297760
- CS-0323111
- MFCD00452608
- 3,5-Dinitro-4-methylbenzamide
- Inchi： 1S/C8H7N3O5/c1-4-6(10(13)14)2-5(8(9)12)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
- InChI Key： TXZXZIKHDOCRFD-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C(C)=C(C=1)[N+](=O)[O-])[N+](=O)[O-])N

Computed Properties

Exact Mass: 225.03861
Monoisotopic Mass: 225.039
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Heavy Atom Count: 16
Rotatable Bond Count: 1
Complexity: 297
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.7
Topological Polar Surface Area: 135?2

Experimental Properties

Density: 1.52
Boiling Point: 293.1°C at 760 mmHg
Flash Point: 131°C
Refractive Index: 1.636
PSA: 129.37

4-Methyl-3,5-dinitrobenzamide Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	M240655-250mg	4-Methyl-3,5-dinitrobenzamide	4551-76-2		250mg	$ 185.00	2022-06-04
TRC	M240655-500mg	4-Methyl-3,5-dinitrobenzamide	4551-76-2		500mg	$ 300.00	2022-06-04
TRC	M240655-1000mg	4-Methyl-3,5-dinitrobenzamide	4551-76-2		1g	$ 480.00	2022-06-04
A2B Chem LLC	AJ07879-500mg	4-Methyl-3,5-dinitrobenzamide	4551-76-2	>95%	500mg	$412.00	2024-04-20
A2B Chem LLC	AJ07879-1g	4-Methyl-3,5-dinitrobenzamide	4551-76-2	>95%	1g	$439.00	2024-04-20
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1393781-1g	4-Methyl-3,5-dinitrobenzamide	4551-76-2	95+%	1g	￥1837.00	2024-05-13