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3，6-Dimethoxyphthalonitrile - ≥95%, high purity , CAS No.40904-87-8

COA

Grade & Purity:

≥95%

Cas Number: 40904-87-8
Molecular Weight: 188.18
PubChem CID: 358358

In stock

Item Number

D697558

Grouped product items
SKU	Size	Availability	Price
D697558-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
D697558-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
D697558-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$483.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Benzonitriles Anisoles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	3,6-dimethoxybenzene-1,2-dicarbonitrile
INCHI	InChI=1S/C10H8N2O2/c1-13-9-3-4-10(14-2)8(6-12)7(9)5-11/h3-4H,1-2H3
InChIKey	RBECBXIJJTWGFS-UHFFFAOYSA-N
Smiles	COC1=C(C(=C(C=C1)OC)C#N)C#N
Isomeric SMILES	COC1=C(C(=C(C=C1)OC)C#N)C#N
PubChem CID	358358
Molecular Weight	188.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	188.180 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	188.059 Da
Monoisotopic Mass	188.059 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	255.000
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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3，6-Dimethoxyphthalonitrile - ≥95%, high purity , CAS No.40904-87-8

Basic Description