3-Bromo-5-fluoropicolinonitrile - ≥98% , CAS No.950670-18-5

CAS: 950670-18-5 Cat. No.: B188570 Formula: C₆H₂BrFN₂ Peso molecolare: 201

GRADE & PURITY ≥98%

Synonyms

FT-0683016 | SCHEMBL384105 | STL556951 | MFCD16988825 | 3-Bromo-2-cyano-5-fluoropyridine | AU-004/43502014 | AMY6248 | OLOSREGULYFXDD-UHFFFAOYSA-N | 3-BROMO-5-FLUORO-2-CYANOPYRIDINE | PS-6662 | 3-Bromo-5-fluoropicolinonitrile, AldrichCPR | 3-Bromo-5-fluor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

FT-0683016 | SCHEMBL384105 | STL556951 | MFCD16988825 | 3-Bromo-2-cyano-5-fluoropyridine | AU-004/43502014 | AMY6248 | OLOSREGULYFXDD-UHFFFAOYSA-N | 3-BROMO-5-FLUORO-2-CYANOPYRIDINE | PS-6662 | 3-Bromo-5-fluoropicolinonitrile, AldrichCPR | 3-Bromo-5-fluor

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488201408

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201408

Sorrisi canonici

C1=C(C=NC(=C1Br)C#N)F

IUPAC Name

3-bromo-5-fluoropyridine-2-carbonitrile

InChIKey

OLOSREGULYFXDD-UHFFFAOYSA-N

INCHI

1S/C6H2BrFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H

Isomeri SMILES

C1=C(C=NC(=C1Br)C#N)F

Peso molecolare

201

Reaxy-Rn

23737128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23737128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aryl fluorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Cyanide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 201.000 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.939 Da
• Monoisotopic Mass: 199.939 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 164.000
• 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 ≥98% 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 950670-18-5, the molecular formula is C6H2BrFN2, and the molecular weight is 201 g/mol. InChIKey OLOSREGULYFXDD-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.