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2,4-Dimethyl-5-nitrobenzoic acid - 98%, high purity , CAS No.220504-75-6

COA

Grade & Purity:

≥98%

Cas Number: 220504-75-6
Molecular Weight: 195.17
MDL number: MFCD01463419
PubChem CID: 601141
PubChem SID: 504759467

In stock

Item Number

D303078

Grouped product items
SKU	Size	Availability	Price
D303078-250mg	250mg	3	$26.90
D303078-1g	1g	5	$53.90
D303078-5g	5g	3	$165.90
D303078-25g	25g	3	$492.90

Basic Description

Synonyms	2,4-Dimethyl-5-nitrobenzoic acid \| 220504-75-6 \| Benzoic acid, 2,4-dimethyl-5-nitro- (9CI) \| 5-nitro-2,4-dimethylbenzoic acid \| Oprea1_244078 \| AE-562/12222226 \| SCHEMBL4180430 \| 2,4-Dimethyl-5-nitrobenzoicacid \| DTXSID90345013 \| 2,4-dimethyl-5-nitro benzoicacid \| 2,4-dimeth
Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	Nitrotoluenes Nitrobenzenes Benzoic acids m-Xylenes Nitroaromatic compounds Benzoyl derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759467
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759467
IUPAC Name	2,4-dimethyl-5-nitrobenzoic acid
INCHI	InChI=1S/C9H9NO4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChIKey	OVWSQNZKIRGLMK-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C
Isomeric SMILES	CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C
Molecular Weight	195.17
Reaxy-Rn	3283827
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3283827&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
I2206568	Certificate of Analysis	Jun 16, 2025	D303078
I2206620	Certificate of Analysis	Jun 10, 2025	D303078
I2206748	Certificate of Analysis	Jun 10, 2025	D303078
I2207089	Certificate of Analysis	Jun 10, 2025	D303078
G2306063	Certificate of Analysis	Jun 29, 2022	D303078
G2306059	Certificate of Analysis	Jun 29, 2022	D303078

Chemical and Physical Properties

Boil Point(°C)	371.4°C
Molecular Weight	195.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	195.053 Da
Monoisotopic Mass	195.053 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	248.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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