(Bromoethynyl)benzene - ≥95%(HPLC) , CAS No.932-87-6

CAS: 932-87-6 Cat. No.: B464040 Summenformel: C₈H₅Br Molekulargewicht: 181.03 Beilstein Registry Number: 606222 EG-Nummer: 686-024-8

GRADE & PURITY ≥95%(HPLC)

Synonyms

BENZENE,(2-BROMOETHYNYL)- | (2-bromoethynyl)benzene | A844506 | SCHEMBL205838 | 1-Bromo-2-phenylacetylene | 1-bromo-2-phenyl-acetylene | 2-bromoethynylbenzene | (Bromoethynyl)benzene, >=95.0% (HPLC) | AKOS015917544 | EN300-251747 | 1-Bromo-2-phenylethyne

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

BENZENE,(2-BROMOETHYNYL)- | (2-bromoethynyl)benzene | A844506 | SCHEMBL205838 | 1-Bromo-2-phenylacetylene | 1-bromo-2-phenyl-acetylene | 2-bromoethynylbenzene | (Bromoethynyl)benzene, >=95.0% (HPLC) | AKOS015917544 | EN300-251747 | 1-Bromo-2-phenylethyne

Spezifikationen & Reinheit

≥95%(HPLC)

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%(HPLC)

Namen und Kennungen

• Pubchem Sid: 508806883
• Kanonisches Lächeln: C1=CC=C(C=C1)C#CBr
• IUPAC Name: 2-bromoethynylbenzene
• InChIKey: BPVHWNVBBDHIQU-UHFFFAOYSA-N
• INCHI: 1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
• Isomere SMILES: C1=CC=C(C=C1)C#CBr
• Molekulargewicht: 181.03
• Beilstein: 606222
• Reaxy-Rn: 606222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Haloacetylenes and derivatives Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Haloacetylene or derivatives - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Molekulargewicht: 181.030 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 179.957 Da
• Monoisotopic Mass: 179.957 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 131.000
• 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