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

CAS: 52378-64-0 Cat. No.: B184967 Formule: C₆H₆BrNO Poids moléculaire: 188 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488198574

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198574

Sourires canoniques

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

Isomères SMILES

C1=CC(=C(N=C1)CO)Br

Poids moléculaire

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
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.