3,3'-Dimethylazobenzene - ≥98%(GC) , CAS No.588-04-5

CAS: 588-04-5 Cat. No.: D154931 Molecular Weight: 210.28

GRADE & PURITY ≥98%(GC)

Synonyms

(E)-1,2-Di-m-tolyldiazene | (E)-1,2-dim-tolyldiazene | NSC 31009 | NSC31009 | (1E)-1,2-Bis(3-methylphenyl)diazene | Diazene, 1,2-bis(3-methylphenyl)- | DTXSID901305668 | AS-57549 | 1,2-Di-m-tolyldiazene | 3,3'-Dimethylazobenzene | BIS(3-METHYLPHENYL)DIAZE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(E)-1, 2-Di-m-tolyldiazene | (E)-1, 2-dim-tolyldiazene | NSC 31009 | NSC31009 | (1E)-1, 2-Bis(3-methylphenyl)diazene | Diazene, 1, 2-bis(3-methylphenyl)- | DTXSID901305668 | AS-57549 | 1, 2-Di-m-tolyldiazene | 3, 3'-Dimethylazobenzene | BIS(3-METHYLPHENYL)DIAZE

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752137
• Canonical Smiles: CC1=CC(=CC=C1)N=NC2=CC=CC(=C2)C
• IUPAC Name: bis(3-methylphenyl)diazene
• InChIKey: HPSZIXYLILUGIP-UHFFFAOYSA-N
• INCHI: 1S/C14H14N2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3-10H,1-2H3
• Isomeric SMILES: CC1=CC(=CC=C1)N=NC2=CC=CC(=C2)C
• Molecular Weight: 210.28
• Reaxy-Rn: 640786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=640786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Toluenes Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Toluene - Benzenoid - Monocyclic benzene moiety - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

• Melt Point(°C): 53 °C
• Molecular Weight: 210.270 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.116 Da
• Monoisotopic Mass: 210.116 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• 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