2,3-Dicyanohydroquinone(DCH) - ≥97% , CAS No.4733-50-0

CAS: 4733-50-0 Cat. No.: D154533 Molecular Weight: 160.13 EC Number: 225-241-0

GRADE & PURITY ≥97%

Synonyms

3,6-Dihydroxyphthalonitrile | 1, 3,6-dihydroxy- | 1,2-Benzenedicarbonitrile, 3,6-dihydroxy- | UNII-TTR9Y6YSS8 | MFCD00006757 | 3,6-Dihydroxy-1,2-benzenedicarbonitrile | DTXSID80197109 | 2,3-Dicyanohydroquinone, 98% | dicyanohydroquinone | D-Ribose 5-(dihy

Storage

Room temperature,Argon charged,Cool

Shipped In

FedEx DG Service

Overview

application：

2,3-Dicyanohydroquinone was used in the synthesis of phthalonitrile-3,6-ditriflate. It is a fluorescent dye and was used in determination of intracellular pH and calcium in avian neural crest cells.

Specifications

Synonyms

3, 6-Dihydroxyphthalonitrile | 1, 3, 6-dihydroxy- | 1, 2-Benzenedicarbonitrile, 3, 6-dihydroxy- | UNII-TTR9Y6YSS8 | MFCD00006757 | 3, 6-Dihydroxy-1, 2-benzenedicarbonitrile | DTXSID80197109 | 2, 3-Dicyanohydroquinone, 98% | dicyanohydroquinone | D-Ribose 5-(dihy

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Cool

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755291
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755291
• Canonical Smiles: C1=CC(=C(C(=C1O)C#N)C#N)O
• IUPAC Name: 3,6-dihydroxybenzene-1,2-dicarbonitrile
• InChIKey: MPAIWVOBMLSHQA-UHFFFAOYSA-N
• INCHI: 1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H
• Isomeric SMILES: C1=CC(=C(C(=C1O)C#N)C#N)O
• WGK Germany: 3
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 160.13
• Reaxy-Rn: 2101249
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2101249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroquinone - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: Slightly soluble in water; Soluble in Acetone,Ethanol; Slightly soluble in Benzene,Chloroform,Methanol
• Sensitivity: air sensitive
• Melt Point(°C): >230 °C (dec.) (lit.)
• Molecular Weight: 160.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 160.027 Da
• Monoisotopic Mass: 160.027 Da
• Topological Polar Surface Area: 88.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 231.000
• 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