4-Bromonicotinic acid - ≥95% , CAS No.15366-62-8

CAS: 15366-62-8 Cat. No.: W135555 Molecular Weight: 202.01 EC Number: 687-277-7 PubChem CID: 2762915

GRADE & PURITY ≥95%

Synonyms

AB18009 | 4-Bromonicotinic acid, AldrichCPR | SY021899 | 4-Bromo-3-pyridine carboxlic acid | AKOS005198946 | 4-Bromonicotinic acid | 4-Bromo-nicotinic acid | DTXSID00376570 | 4-bromo-nicotinicacidhydrochloride | BCP05403 | FT-0649640 | SCHEMBL933359 | 4-b

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AB18009 | 4-Bromonicotinic acid, AldrichCPR | SY021899 | 4-Bromo-3-pyridine carboxlic acid | AKOS005198946 | 4-Bromonicotinic acid | 4-Bromo-nicotinic acid | DTXSID00376570 | 4-bromo-nicotinicacidhydrochloride | BCP05403 | FT-0649640 | SCHEMBL933359 | 4-b

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CN=CC(=C1Br)C(=O)O
• IUPAC Name: 4-bromopyridine-3-carboxylic acid
• InChIKey: CZLOEKRJQIAKFI-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
• Isomeric SMILES: C1=CN=CC(=C1Br)C(=O)O
• WGK Germany: 3
• PubChem CID: 2762915
• Molecular Weight: 202.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: 1-carboxy-2-haloaromatic compounds Aryl bromides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - 1-carboxy-2-haloaromatic compound - Aryl bromide - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Chemical and Physical Properties

• Melt Point(°C): 118-134°C
• Molecular Weight: 202.010 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.943 Da
• Monoisotopic Mass: 200.943 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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