5-Bromo-pentan-2-one - ≥95% , CAS No.3884-71-7

CAS: 3884-71-7 Cat. No.: B345087 Formule: C₅H₉BrO Poids moléculaire: 165.03 Numéro CE: 223-419-2

GRADE & PURITY ≥95%

Synonyms

A930705 | EINECS 223-419-2 | 5-Bromo-2-pentanone | FT-0696042 | 5-BROMO-PENTAN-2-ONE | 5-Bromopentan-2-one | EN300-101257 | DTXSID7063219 | SB36971 | SCHEMBL808507 | AKOS006273529 | GS-6091 | MFCD00051425 | 1-Bromo-4-pentanone | 2-Pentanone, 5-bromo-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

A930705 | EINECS 223-419-2 | 5-Bromo-2-pentanone | FT-0696042 | 5-BROMO-PENTAN-2-ONE | 5-Bromopentan-2-one | EN300-101257 | DTXSID7063219 | SB36971 | SCHEMBL808507 | AKOS006273529 | GS-6091 | MFCD00051425 | 1-Bromo-4-pentanone | 2-Pentanone, 5-bromo-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488185409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185409

Sourires canoniques

CC(=O)CCCBr

IUPAC Name

5-bromopentan-2-one

InChIKey

HTKABMPGOHRVCT-UHFFFAOYSA-N

INCHI

1S/C5H9BrO/c1-5(7)3-2-4-6/h2-4H2,1H3

Isomères SMILES

CC(=O)CCCBr

Poids moléculaire

165.03

Reaxy-Rn

1699406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

• Sensibilité: light sensitive
• Indice de réfraction: n20D1.46 (Predicted)
• Point d'ébullition (°C): ~190.6° C at 25 mmHg (Predicted)
• Point de fusion (°C): -16.22° C (Predicted)
• Poids moléculaire: 165.030 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.984 Da
• Monoisotopic Mass: 163.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.100
• 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