4-Bromoindazole - ≥97% , CAS No.186407-74-9

CAS: 186407-74-9 Cat. No.: B132684 Formula: C₇H₅BrN₂ Peso molecolare: 197.03 Numero EC: 803-241-7

GRADE & PURITY ≥97%

Synonyms

4-Bromoindazole | 4-Methyl-N-[2-(4-morpholinyl)ethyl]-6-phenyl-3-pyridazinamine # | HY-12749 | BCP9000153 | W-206348 | Ethane,1-dichloro- | PD182094 | SCHEMBL16799950 | B4631 | SCHEMBL155255 | Z952016260 | SY003799 | AM20030225 | AC-3087 | BCP00013 | FT-0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

4-Bromoindazole | 4-Methyl-N-[2-(4-morpholinyl)ethyl]-6-phenyl-3-pyridazinamine # | HY-12749 | BCP9000153 | W-206348 | Ethane,1-dichloro- | PD182094 | SCHEMBL16799950 | B4631 | SCHEMBL155255 | Z952016260 | SY003799 | AM20030225 | AC-3087 | BCP00013 | FT-0

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504769213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769213
• Sorrisi canonici: C1=CC2=C(C=NN2)C(=C1)Br
• IUPAC Name: 4-bromo-1H-indazole
• InChIKey: KJIODOACRIRBPB-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
• Isomeri SMILES: C1=CC2=C(C=NN2)C(=C1)Br
• WGK Germania: 3
• Peso molecolare: 197.03
• Reaxy-Rn: 9757929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9757929&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a 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

Obiettivi associati (umani)

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Ethanol
• Punto di fusione (°C): 164-169°
• Peso molecolare: 197.030 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.964 Da
• Monoisotopic Mass: 195.964 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

Domande frequenti

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 186407-74-9, the molecular formula is C7H5BrN2, and the molecular weight is 197.03 g/mol. InChIKey KJIODOACRIRBPB-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.