2-Bromobenzyl bromide - ≥98% , CAS No.3433-80-5

CAS: 3433-80-5 Cat. No.: B124758 Formule: C₇H₆Br₂ Poids moléculaire: 249.93 Beilstein Registry Number: 971015 Numéro CE: 222-334-8

GRADE & PURITY ≥98%

Synonyms

STL301729 | 1-bromo-2-bromomethylbenzene | 1-Bromo-2-bromomethyl-benzene | 2-Bromobenzyl bromide, 98% | a,o-dibromotoluene | Benzene, bromo(bromomethyl)- | 1-Bromo-2-(bromomethyl)benzene # | alpha-2-Dibromotoluene | EN300-17648 | 2-(bromo)benzyl bromide |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

STL301729 | 1-bromo-2-bromomethylbenzene | 1-Bromo-2-bromomethyl-benzene | 2-Bromobenzyl bromide, 98% | a,o-dibromotoluene | Benzene, bromo(bromomethyl)- | 1-Bromo-2-(bromomethyl)benzene # | alpha-2-Dibromotoluene | EN300-17648 | 2-(bromo)benzyl bromide |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 508808382
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508808382
• Sourires canoniques: C1=CC=C(C(=C1)CBr)Br
• IUPAC Name: 1-bromo-2-(bromomethyl)benzene
• InChIKey: LZSYGJNFCREHMD-UHFFFAOYSA-N
• INCHI: 1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• Isomères SMILES: C1=CC=C(C(=C1)CBr)Br
• WGK Allemagne: 3
• Poids moléculaire: 249.93
• Beilstein: 971015
• Reaxy-Rn: 971015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971015&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: dioxane: soluble 1 g/10 mL, clear, colorless;Insoluble in water.
• Sensibilité: light sensitive,air sensitive,humidity sensitive
• Indice de réfraction: 1.619
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 129°C/19mmHg
• Point de fusion (°C): 29-32°C
• Poids moléculaire: 249.930 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 249.882 Da
• Monoisotopic Mass: 247.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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