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

CAS: 591-18-4 Cat. No.: B103587 Molecular Weight: 282.9 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(GC), stabilized with copper

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181378
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC(=C1)I)Br
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Immiscible with water.
• Sensitivity: Light sensitive.
• Refractive Index: 1.659-1.6615
• Flash Point(°F): >230 °F
• Flash Point(°C): 113°C
• Boil Point(°C): 120°C/18mmHg
• Melt Point(°C): −9.3-−9 °C(lit.)
• Molecular Weight: 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