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

CAS: 80480-15-5 Cat. No.: B334398 Summenformel: C₁₈H₁₁BrO Molekulargewicht: 323.18 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504757021

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

UN-Nummer

1759

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 129-131° C (lit.)
• Molekulargewicht: 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