2-Bromocyclohexanone - ≥95% , CAS No.822-85-5

CAS: 822-85-5 Cat. No.: B131549 Peso molecular: 177.04 Beilstein Registry Number: 1071730 Número EC: 624-808-3

GRADE & PURITY ≥95%

Synonyms

KDXYEWRAWRZXFT-UHFFFAOYSA-N | 2-bromo-cyclohexan-1-one | 2-Bromocyclohexan-1-one | SCHEMBL918055 | AS-38659 | cyclohexanone, 2-bromo- | A840293 | J-800370 | FT-0649087 | DTXSID30472791 | 2-Bromocyclohexanone, tech grade | AM10048 | 2-bromocyclohexanone |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Building Block for Synthesis

Specifications

Sinónimos

KDXYEWRAWRZXFT-UHFFFAOYSA-N | 2-bromo-cyclohexan-1-one | 2-Bromocyclohexan-1-one | SCHEMBL918055 | AS-38659 | cyclohexanone, 2-bromo- | A840293 | J-800370 | FT-0649087 | DTXSID30472791 | 2-Bromocyclohexanone, tech grade | AM10048 | 2-bromocyclohexanone |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504766738
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766738
• Sonrisas canónicas: C1CCC(=O)C(C1)Br
• IUPAC Name: 2-bromocyclohexan-1-one
• InChIKey: KDXYEWRAWRZXFT-UHFFFAOYSA-N
• INCHI: 1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
• Isómeros SMILES: C1CCC(=O)C(C1)Br
• WGK Alemania: 3
• Peso molecular: 177.04
• Beilstein: 1071730
• Reaxy-Rn: 1071730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071730&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Alpha-haloketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Alpha-haloketones
• Alternative Parents: Cyclic ketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-haloketone - Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O 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

Propiedades químicas y físicas

• Sensibilidad: Heat Sensitive
• Punto de inflamación (°C): 84 °C
• Punto de ebullición (°C): 72 °C/0.40 mmHg
• Peso molecular: 177.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.984 Da
• Monoisotopic Mass: 175.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1