3-(4-Bromophenyl)-1H-pyrazole - ≥96% , CAS No.73387-46-9

CAS: 73387-46-9 Cat. No.: B186315 Summenformel: C₉H₇BrN₂ Molekulargewicht: 223.1 EG-Nummer: 627-370-1

GRADE & PURITY ≥96%

Synonyms

5-(4-bromophenyl)-1H-pyrazole | 3-(4-BROMOPHENYL)-1H-PYRAZOLE, 97% | 3-(4-Bromophenyl)pyrazole | SCHEMBL9955 | 5-(4-bromo-phenyl)-pyrazole | 3-(4-Bromo-Phenyl)-1H-Pyrazole | DTXSID80370834 | MFCD01940434

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

5-(4-bromophenyl)-1H-pyrazole | 3-(4-BROMOPHENYL)-1H-PYRAZOLE, 97% | 3-(4-Bromophenyl)pyrazole | SCHEMBL9955 | 5-(4-bromo-phenyl)-pyrazole | 3-(4-Bromo-Phenyl)-1H-Pyrazole | DTXSID80370834 | MFCD01940434

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504761265

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761265

Kanonisches Lächeln

C1=CC(=CC=C1C2=CC=NN2)Br

IUPAC Name

5-(4-bromophenyl)-1H-pyrazole

InChIKey

LXDGTEBHVOKDLE-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=CC=C1C2=CC=NN2)Br

WGK Deutschland

3

Molekulargewicht

223.1

Reaxy-Rn

7916549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7916549&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 132-136 °C
• Molekulargewicht: 223.070 g/mol
• XLogP3: 2.600
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 73387-46-9, the molecular formula is C9H7BrN2, and the molecular weight is 223.1 g/mol. InChIKey LXDGTEBHVOKDLE-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.