Azulene - ≥97%(GC) , CAS No.275-51-4

CAS: 275-51-4 Cat. No.: A151375 Molecular Weight: 128.17 Beilstein Registry Number: 969517 EC Number: 205-993-6

GRADE & PURITY ≥97%(GC)

Synonyms

BICYCLO-(5.3.0)-DECA-2,4,6,8,10-PENTAENE | Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene | Bicyclo[5.3.0]-1,5,7,9-decapentaene | J-016811 | AZULENE [MI] | C13408 | Azunamic | EINECS 205-993-6 | SR-01000944574-1 | DTXSID2059770 | AZULENE [INCI] | bicyclo(5.3.0)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BICYCLO-(5.3.0)-DECA-2, 4, 6, 8, 10-PENTAENE | Bicyclo(5.3.0)-deca-2, 4, 6, 8, 10-pentaene | Bicyclo[5.3.0]-1, 5, 7, 9-decapentaene | J-016811 | AZULENE [MI] | C13408 | Azunamic | EINECS 205-993-6 | SR-01000944574-1 | DTXSID2059770 | AZULENE [INCI] | bicyclo(5.3.0)-

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488180949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180949
• Canonical Smiles: C1=CC=C2C=CC=C2C=C1
• IUPAC Name: azulene
• InChIKey: CUFNKYGDVFVPHO-UHFFFAOYSA-N
• INCHI: 1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
• Isomeric SMILES: C1=CC=C2C=CC=C2C=C1
• WGK Germany: 2
• RTECS: CO4570000
• Molecular Weight: 128.17
• Beilstein: 969517
• Reaxy-Rn: 969517
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969517&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Azulenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Azulenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring.
• External Descriptors: azulenes - ortho-fused bicyclic arene - mancude carbobicyclic parent

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

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in organic solvents.
• Boil Point(°C): 241-243℃
• Melt Point(°C): 98-103℃
• Molecular Weight: 128.169 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 128.063 Da
• Monoisotopic Mass: 128.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 94.600
• 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