1-(Bromoacetyl)pyrene - ≥97% , CAS No.80480-15-5

CAS: 80480-15-5 Cat. No.: B334398 Fórmula: C₁₈H₁₁BrO Peso molecular: 323.18 Número EC: 627-314-6

GRADE & PURITY ≥97%

Synonyms

2-bromo-1-(pyren-3-yl)ethanone | 2-bromo-1-(pyren-1-yl)ethan-1-one | J-503504 | MFCD00191839 | 1-(Bromoacetyl)pyrene, 97% | AKOS015904432 | L10081 | LCZC2593 | Ethanone, 2-bromo-1-(1-pyrenyl)- | SCHEMBL2048935 | 2-Bromo-1-(pyren-1-yl)ethanone | A23484 | A

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

1-(Bromoacetyl)pyrene is a novel photoinitiator used in synthesis reactions.

Specifications

Sinónimos

2-bromo-1-(pyren-3-yl)ethanone | 2-bromo-1-(pyren-1-yl)ethan-1-one | J-503504 | MFCD00191839 | 1-(Bromoacetyl)pyrene, 97% | AKOS015904432 | L10081 | LCZC2593 | Ethanone, 2-bromo-1-(1-pyrenyl)- | SCHEMBL2048935 | 2-Bromo-1-(pyren-1-yl)ethanone | A23484 | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504757021

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757021

Sonrisas canónicas

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CBr

IUPAC Name

2-bromo-1-pyren-1-ylethanone

InChIKey

KAEDEGFCOPIKKM-UHFFFAOYSA-N

INCHI

1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2

Isómeros SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CBr

Número ONU

1759

Grupo de embalaje

II

Peso molecular

323.18

Reaxy-Rn

3550369

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3550369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Aryl alkyl ketones Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aryl alkyl ketone - Aryl ketone - Alpha-haloketone - Ketone - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Alkyl halide - Organic oxide - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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: Moisture sensitive
• Punto de fusión (°C): 129-131° C (lit.)
• Peso molecular: 323.200 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 321.999 Da
• Monoisotopic Mass: 321.999 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 393.000
• 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: 1