Bis(2-bromophenyl)acetylene - ≥96%(GC) , CAS No.38399-13-2

CAS: 38399-13-2 Cat. No.: B153024 Formule: C₁₄H₈Br₂ Poids moléculaire: 336.03

GRADE & PURITY ≥96%(GC)

Synonyms

1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene | 2,2 inverted exclamation marka-dibromotolane | MFCD00238712 | AS-59868 | 2,2'-DIBROMODIPHENYLACETYLENE | T70861 | 2,2'-Dibromotolane | DTXSID80323800 | bis(2-bromophenyl)acetylene | AKOS030228027 | 1,2-bis(2-b

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene | 2,2 inverted exclamation marka-dibromotolane | MFCD00238712 | AS-59868 | 2,2'-DIBROMODIPHENYLACETYLENE | T70861 | 2,2'-Dibromotolane | DTXSID80323800 | bis(2-bromophenyl)acetylene | AKOS030228027 | 1,2-bis(2-b

Spécifications et pureté

≥96%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%(GC)

Noms et identifiants

Pubchem Sid

488189578

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189578

Sourires canoniques

C1=CC=C(C(=C1)C#CC2=CC=CC=C2Br)Br

IUPAC Name

1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene

InChIKey

RVGSIXSCGKMAOK-UHFFFAOYSA-N

INCHI

1S/C14H8Br2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H

Isomères SMILES

C1=CC=C(C(=C1)C#CC2=CC=CC=C2Br)Br

Poids moléculaire

336.03

Reaxy-Rn

2526663

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2526663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached 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

Propriétés chimiques et physiques

• Solubilité: soluble in Tetrahydrofuran
• Point de fusion (°C): 81 °C
• Poids moléculaire: 336.020 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 335.897 Da
• Monoisotopic Mass: 333.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 260.000
• 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, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). 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 38399-13-2, the molecular formula is C14H8Br2, and the molecular weight is 336.03 g/mol. InChIKey RVGSIXSCGKMAOK-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.