2-(Bromoacetyl)pyridine hydrobromide - ≥95% , CAS No.17570-98-8

CAS: 17570-98-8 Cat. No.: B182147 Formula: C₇H₆BrNO.BrH Peso molecolare: 280.9 Numero EC: 642-647-7 PubChem CID: 2776231

GRADE & PURITY ≥95%

Synonyms

2-bromo-1-pyridin-2-ylethanone;hydrobromide | SCHEMBL1016601 | SY007962 | 2-bromo-1-pyridin-2-yl ethanone hydrobromide | AS-18166 | 2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE HYDROBROMIDE | 2-bromo-1-(pyridin-2-yl)ethanone, hydrobromide | 2-Bromo-1-pyridin-2-ylm

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-bromo-1-pyridin-2-ylethanone;hydrobromide | SCHEMBL1016601 | SY007962 | 2-bromo-1-pyridin-2-yl ethanone hydrobromide | AS-18166 | 2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE HYDROBROMIDE | 2-bromo-1-(pyridin-2-yl)ethanone, hydrobromide | 2-Bromo-1-pyridin-2-ylm

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504761931

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761931

Sorrisi canonici

C1=CC=NC(=C1)C(=O)CBr.Br

IUPAC Name

2-bromo-1-pyridin-2-ylethanone;hydrobromide

InChIKey

BYKVUGZUYJUSKD-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H

Isomeri SMILES

C1=CC=NC(=C1)C(=O)CBr.Br

PubChem CID

2776231

Peso molecolare

280.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyridine - Pyridinium - Alpha-haloketone - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl bromide - Organic bromide salt - Hydrocarbon derivative - Organic salt - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 280.940 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 280.887 Da
• Monoisotopic Mass: 278.889 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 127.000
• 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: 2

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 17570-98-8, the molecular formula is C7H6BrNO.BrH, and the molecular weight is 280.9 g/mol. InChIKey BYKVUGZUYJUSKD-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.