4-(4-Bromophenyl)-1H-pyrazole - ≥97% , CAS No.849021-16-5

CAS: 849021-16-5 Cat. No.: B186918 Fórmula: C₉H₇BrN₂ Peso molecular: 223.1 Número CE: 673-373-6

GRADE & PURITY ≥97%

Synonyms

AKOS015835687 | 4-(4-Bromophenyl)pyrazole | FS-1422 | 4-(4-Bromo-phenyl)-1H-pyrazole | 4-(4-bromophenyl)-1H-pyrazole | A840981 | MFCD06800354 | ZIB02116 | AT22621 | SCHEMBL481994 | Z1269230061 | DTXSID10426292 | EN300-155627 | GCAZXAMCMBEXCC-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015835687 | 4-(4-Bromophenyl)pyrazole | FS-1422 | 4-(4-Bromo-phenyl)-1H-pyrazole | 4-(4-bromophenyl)-1H-pyrazole | A840981 | MFCD06800354 | ZIB02116 | AT22621 | SCHEMBL481994 | Z1269230061 | DTXSID10426292 | EN300-155627 | GCAZXAMCMBEXCC-UHFFFAOYSA-N

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=CC=C1C2=CNN=C2)Br

IUPAC Name

4-(4-bromophenyl)-1H-pyrazole

InChIKey

GCAZXAMCMBEXCC-UHFFFAOYSA-N

INCHI

1S/C9H7BrN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12)

SMILES isoméricas

C1=CC(=CC=C1C2=CNN=C2)Br

Peso molecular

223.1

Reaxy-Rn

18319085

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18319085&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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

Propriedades químicas e físicas

• Peso molecular: 223.070 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.979 Da
• Monoisotopic Mass: 221.979 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 849021-16-5, the molecular formula is C9H7BrN2, and the molecular weight is 223.1 g/mol. InChIKey GCAZXAMCMBEXCC-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.