3-Bromo-2-hydroxymethylpyridine - ≥98% , CAS No.52378-64-0

CAS: 52378-64-0 Cat. No.: B184967 Fórmula: C₆H₆BrNO Peso molecular: 188 Número EC: 892-807-7

GRADE & PURITY ≥98%

Synonyms

3-Bromopyridine-2-methanol | FTTLCYCJDYIEFO-UHFFFAOYSA-N | 2-Pyridinemethanol, 3-bromo- | AKOS006276370 | J-501194 | (3-Bromo-2-pyridyl)methanol | DTXSID20554434 | 3-Bromo-2-(hydroxymethyl)pyridine | 3-bromo-2-pyridinemethanol | EN300-248751 | MFCD0309534

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Bromopyridine-2-methanol | FTTLCYCJDYIEFO-UHFFFAOYSA-N | 2-Pyridinemethanol, 3-bromo- | AKOS006276370 | J-501194 | (3-Bromo-2-pyridyl)methanol | DTXSID20554434 | 3-Bromo-2-(hydroxymethyl)pyridine | 3-bromo-2-pyridinemethanol | EN300-248751 | MFCD0309534

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488198574
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198574
• Sonrisas canónicas: C1=CC(=C(N=C1)CO)Br
• IUPAC Name: (3-bromopyridin-2-yl)methanol
• InChIKey: FTTLCYCJDYIEFO-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
• Isómeros SMILES: C1=CC(=C(N=C1)CO)Br
• Peso molecular: 188
• Reaxy-Rn: 1447916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 188.020 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.963 Da
• Monoisotopic Mass: 186.963 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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

Preguntas frecuentes

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 52378-64-0, the molecular formula is C6H6BrNO, and the molecular weight is 188 g/mol. InChIKey FTTLCYCJDYIEFO-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.