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

CAS: 3884-71-7 Cat. No.: B345087 Formula: C₅H₉BrO Peso molecolare: 165.03 Numero EC: 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

Sinonimi

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-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488185409
• Sorrisi canonici: 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
• Isomeri SMILES: CC(=O)CCCBr
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Indice di rifrazione: n20D1.46 (Predicted)
• Punto di ebollizione (°C): ~190.6° C at 25 mmHg (Predicted)
• Punto di fusione (°C): -16.22° C (Predicted)
• Peso molecolare: 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