1-Bromo-3-iodobenzene - ≥98%(GC), stabilized with copper , CAS No.591-18-4

CAS: 591-18-4 Cat. No.: B103587 Peso molecular: 282.9 Número EC: 209-703-9

GRADE & PURITY ≥98%(GC), stabilized with copper

Synonyms

3-bromo-1-iodobenzene | 3-Bromoiodobenzene, 98% | 1-iodo-3-bromobenzene | PB47618 | B1236 | 3-iodobromobenzene | 3-iodo-bromobenzene | EN300-114507 | A832168 | 3-Bromo-1-iodo-benzene | 3-bromo iodobenzene | MFCD00001043 | AM20040796 | Benzene, 1-bromo-3-i

Storage

Room temperature

Shipped In

Normal

Descripción general

Usually used in the preparation of 1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene,1-(3′-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene,oxygen-tethered 1,6-enynes.

Specifications

Sinónimos

3-bromo-1-iodobenzene | 3-Bromoiodobenzene, 98% | 1-iodo-3-bromobenzene | PB47618 | B1236 | 3-iodobromobenzene | 3-iodo-bromobenzene | EN300-114507 | A832168 | 3-Bromo-1-iodo-benzene | 3-bromo iodobenzene | MFCD00001043 | AM20040796 | Benzene, 1-bromo-3-i

Especificaciones y pureza

≥98%(GC), stabilized with copper

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181378
• Sonrisas canónicas: C1=CC(=CC(=C1)I)Br
• IUPAC Name: 1-bromo-3-iodobenzene
• InChIKey: CTPUUDQIXKUAMO-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H
• Isómeros SMILES: C1=CC(=CC(=C1)I)Br
• WGK Alemania: 3
• Peso molecular: 282.9
• Reaxy-Rn: 1854384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Bromobenzenes Aryl iodides Aryl bromides Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
• 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

• Solubilidad: Immiscible with water.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.659-1.6615
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 120°C/18mmHg
• Punto de fusión (°C): −9.3-−9 °C(lit.)
• Peso molecular: 282.900 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 281.854 Da
• Monoisotopic Mass: 281.854 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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