1,3-Dibromoazulene - ≥98% , CAS No.14658-95-8

CAS: 14658-95-8 Cat. No.: D154776 Formule: C₁₀H₆Br₂ Poids moléculaire: 285.97 Numéro CE: 811-008-6

GRADE & PURITY ≥98%

Synonyms

DTXSID50163412 | InChI=1/C10H6Br2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H | 1,3-dibromoazulene | T70297 | AS-57534 | D4662 | SCHEMBL3830960 | AKOS037645136 | Azulene, 1,3-dibromo- | Azulene,1,3-dibromo- | MFCD28975111 | OEXLRDNVSRMWHO-UHFFFAOYSA-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID50163412 | InChI=1/C10H6Br2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H | 1,3-dibromoazulene | T70297 | AS-57534 | D4662 | SCHEMBL3830960 | AKOS037645136 | Azulene, 1,3-dibromo- | Azulene,1,3-dibromo- | MFCD28975111 | OEXLRDNVSRMWHO-UHFFFAOYSA-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1=CC=C2C(=C(C=C2Br)Br)C=C1

IUPAC Name

1,3-dibromoazulene

InChIKey

OEXLRDNVSRMWHO-UHFFFAOYSA-N

INCHI

1S/C10H6Br2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H

Isomères SMILES

C1=CC=C2C(=C(C=C2Br)Br)C=C1

Poids moléculaire

285.97

Reaxy-Rn

2044948

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044948&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Azulenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azulene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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: 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

Cibles associées (non humaines)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light Sensitive
• Point de fusion (°C): 90 °C
• Poids moléculaire: 285.960 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 285.882 Da
• Monoisotopic Mass: 283.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14658-95-8, the molecular formula is C10H6Br2, and the molecular weight is 285.97 g/mol. InChIKey OEXLRDNVSRMWHO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.