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2，6-Dinitrobenzaldehyde - 95%, high purity , CAS No.606-31-5

COA

Grade & Purity:

≥95%

Cas Number: 606-31-5
Molecular Weight: 196.12
MDL number: MFCD00007133
PubChem CID: 69073
PubChem SID: 504754329

In stock

Item Number

D300378

Grouped product items
SKU	Size	Availability	Price	Qty
D300378-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$644.90
D300378-250mg	250mg	2	$2,256.90

Basic Description

Synonyms	DTXSID90209404 \| EINECS 210-113-9 \| F12424 \| SCHEMBL13513679 \| AKOS015889047 \| Benzaldehyde, 2,6-dinitro- \| BRN 2113951 \| 2,6-Dinitrobenzaldehyde, 98% \| MFCD00007133 \| CCRIS 3033 \| AKOS015995504 \| Benzeneacetaldehyde,2-methyl-(9CI) \| 2,6-Dinitrobenzaldehy
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Description 2,6-Dinitrobenzaldehyde is the major intermediate formed by the combined ozonation of 2,6-dinitrotoluene with hydrogen peroxide and UV radiation. Product Application 2,6-Dinitrobenzaldehyde was used in the synthesis of free base tetrakis(2,6-dinitrophenyl) porphyrin.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzaldehydes
Alternative Parents	Nitroaromatic compounds Benzoyl derivatives Benzaldehydes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
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	504754329
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754329
IUPAC Name	2,6-dinitrobenzaldehyde
INCHI	InChI=1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H
InChIKey	WHFZQNNDIJKLIO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)[N+](=O)[O-]
WGK Germany	3
RTECS	CU5957500
Molecular Weight	196.12
Reaxy-Rn	2113951
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2113951&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
F2513128	Certificate of Analysis	Jun 23, 2025	D300378
H2217290	Certificate of Analysis	Jun 15, 2024	D300378

Chemical and Physical Properties

Melt Point(°C)	120-122 °C
Molecular Weight	196.120 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.012 Da
Monoisotopic Mass	196.012 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234.000
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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