2-Bromo-4-iodotoluene - ≥98% , CAS No.26670-89-3

CAS: 26670-89-3 Cat. No.: B183293 Summenformel: C₇H₆BrI Molekulargewicht: 296.93 EG-Nummer: 860-604-2

GRADE & PURITY ≥98%

Synonyms

1-Bromo-5-iodo-2-metnylbenzene | AKOS005258125 | 2-bromo-4-iodo-1-methyl-benzene;2-Bromo-4-iodotoluene | FT-0657766 | STL555151 | 2-bromo-4-iodo-1-methylbenzene | A818550 | MFCD07779014 | AS-18946 | 2-Bromo-4-iodotoluene | SCHEMBL2267813 | AC-22977 | Benz

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

1-Bromo-5-iodo-2-metnylbenzene | AKOS005258125 | 2-bromo-4-iodo-1-methyl-benzene;2-Bromo-4-iodotoluene | FT-0657766 | STL555151 | 2-bromo-4-iodo-1-methylbenzene | A818550 | MFCD07779014 | AS-18946 | 2-Bromo-4-iodotoluene | SCHEMBL2267813 | AC-22977 | Benz

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C=C(C=C1)I)Br

IUPAC Name

2-bromo-4-iodo-1-methylbenzene

InChIKey

ANRAKTDEUFLKDO-UHFFFAOYSA-N

INCHI

1S/C7H6BrI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Isomere SMILES

CC1=C(C=C(C=C1)I)Br

Molekulargewicht

296.93

Reaxy-Rn

2500155

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2500155&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Toluenes Bromobenzenes Aryl iodides Aryl bromides Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Iodobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 296.930 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 295.87 Da
• Monoisotopic Mass: 295.87 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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