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2，6-Dinitroterephthalic acid - ≥95%, high purity , CAS No.69824-99-3

COA

Grade & Purity:

≥95%

Cas Number: 69824-99-3
Molecular Weight: 256.13
PubChem CID: 277931

In stock

Item Number

D770471

Grouped product items
SKU	Size	Availability	Price
D770471-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
D770471-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
D770471-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$562.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Argon charged
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	P-phthalic acid and derivatives Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Para_phthalic_acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dicarboxylic acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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

IUPAC Name	2,6-dinitroterephthalic acid
INCHI	InChI=1S/C8H4N2O8/c11-7(12)3-1-4(9(15)16)6(8(13)14)5(2-3)10(17)18/h1-2H,(H,11,12)(H,13,14)
InChIKey	DTFDTKLNTMAPQO-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O
Isomeric SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O
PubChem CID	277931
Molecular Weight	256.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.130 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	255.997 Da
Monoisotopic Mass	255.997 Da
Topological Polar Surface Area	166.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	373.000
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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