5-(2-Bromophenyl)-1H-tetrazole - ≥98% , CAS No.73096-42-1

CAS: 73096-42-1 Cat. No.: B152903 Fórmula: C₇H₅BrN₄ Peso molecular: 225.05 Beilstein Registry Number: 26(3/4)1795 Número CE: 615-906-7

GRADE & PURITY ≥98%

Synonyms

5-(2-Bromo-Phenyl)-2H-Tetrazole | 5-(2-bromophenyl)-2H-tetrazole | 5-(o-bromophenyl)-1h-tetrazole | AB28590 | 5-(2-Bromo-phenyl)-2H-tetrazole, AldrichCPR | A837934 | 5-(2-bromophenyl)-1H-tetraazole | Z56969325 | AC-1082 | BCP21514 | BDBM50591352 | DTXSID9

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

5-(2-Bromo-Phenyl)-2H-Tetrazole | 5-(2-bromophenyl)-2H-tetrazole | 5-(o-bromophenyl)-1h-tetrazole | AB28590 | 5-(2-Bromo-phenyl)-2H-tetrazole, AldrichCPR | A837934 | 5-(2-bromophenyl)-1H-tetraazole | Z56969325 | AC-1082 | BCP21514 | BDBM50591352 | DTXSID9

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508809807
• Sorrisos canónicos: C1=CC=C(C(=C1)C2=NNN=N2)Br
• IUPAC Name: 5-(2-bromophenyl)-2H-tetrazole
• InChIKey: YHVBXKTXLJTDRI-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
• SMILES isoméricas: C1=CC=C(C(=C1)C2=NNN=N2)Br
• WGK Alemanha: 3
• Peso molecular: 225.05
• Beilstein: 26(3/4)1795
• Reaxy-Rn: 6646235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6646235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 182 °C
• Peso molecular: 225.050 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.97 Da
• Monoisotopic Mass: 223.97 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 154.000
• 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