2-Bromo-5-fluoro-3-methylpyridine - ≥97% , CAS No.38186-85-5

CAS: 38186-85-5 Cat. No.: B119669 Formule: C₆H₅BrFN Poids moléculaire: 190.01 Numéro CE: 662-688-4

GRADE & PURITY ≥97%

Synonyms

EN300-115481 | A6483 | AM20070138 | PS-8394 | AB53312 | MFCD09835355 | DTXSID70647481 | FT-0657827 | SCHEMBL2591681 | 2-Bromo-5-fluoro-3-methylpyridine | 2-Bromo-5-fluoro-3-methyl-pyridine | J-508362 | SY039930 | QLBXFAJGMGFVCN-UHFFFAOYSA-N | AKOS00525929

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

EN300-115481 | A6483 | AM20070138 | PS-8394 | AB53312 | MFCD09835355 | DTXSID70647481 | FT-0657827 | SCHEMBL2591681 | 2-Bromo-5-fluoro-3-methylpyridine | 2-Bromo-5-fluoro-3-methyl-pyridine | J-508362 | SY039930 | QLBXFAJGMGFVCN-UHFFFAOYSA-N | AKOS00525929

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504769846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769846
• Sourires canoniques: CC1=CC(=CN=C1Br)F
• IUPAC Name: 2-bromo-5-fluoro-3-methylpyridine
• InChIKey: QLBXFAJGMGFVCN-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
• Isomères SMILES: CC1=CC(=CN=C1Br)F
• WGK Allemagne: 3
• Poids moléculaire: 190.01
• Reaxy-Rn: 386425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386425&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: Methylpyridines 2-halopyridines Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Methylpyridine - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.5385
• Point d'éclair (°F): 204.8 °F
• Point d'éclair (°C): 96 °C
• Point de fusion (°C): 97-101°C
• Poids moléculaire: 190.010 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.959 Da
• Monoisotopic Mass: 188.959 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

Foire aux questions

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 38186-85-5, the molecular formula is C6H5BrFN, and the molecular weight is 190.01 g/mol. InChIKey QLBXFAJGMGFVCN-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.