2-Iodobenzyl bromide - ≥97% , CAS No.40400-13-3

CAS: 40400-13-3 Cat. No.: I101707 Summenformel: C₇H₆BrI Molekulargewicht: 296.93 Beilstein Registry Number: 2079736 EG-Nummer: 628-053-0

GRADE & PURITY ≥97%

Synonyms

2-Iodobenzyl bromide, 97% | AC-26200 | EN300-215102 | a-Bromo-2-iodotoluene;Benzene,1-(bromomethyl)-2-iodo- | CK2021 | 1-Bromomethyl-2-iodobenzene | alpha-Bromo-2-iodotoluene | o-iodobenzyl bromide | FT-0612673 | ortho-Iodo-benzylbromide | 2-Iodobenzyl br

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

2-Iodobenzyl bromide, 97% | AC-26200 | EN300-215102 | a-Bromo-2-iodotoluene;Benzene,1-(bromomethyl)-2-iodo- | CK2021 | 1-Bromomethyl-2-iodobenzene | alpha-Bromo-2-iodotoluene | o-iodobenzyl bromide | FT-0612673 | ortho-Iodo-benzylbromide | 2-Iodobenzyl br

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508816684

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816684

Kanonisches Lächeln

C1=CC=C(C(=C1)CBr)I

IUPAC Name

1-(bromomethyl)-2-iodobenzene

InChIKey

GQFITODJWOIYPF-UHFFFAOYSA-N

INCHI

1S/C7H6BrI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Isomere SMILES

C1=CC=C(C(=C1)CBr)I

WGK Deutschland

2

Molekulargewicht

296.93

Beilstein

2079736

Reaxy-Rn

2079736

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079736&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Iodobenzenes Aryl iodides Organoiodides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Hydrocarbon derivative - Organoiodide - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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 & moisture sensitive
• Flammpunkt (°C): >110°C
• Siedepunkt (°C): 125°C/4mmHg
• Schmelzpunkt (°C): 54-60°C
• Molekulargewicht: 296.930 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 85.000
• 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