2,6-Dibromotoluene - ≥98% , CAS No.69321-60-4

CAS: 69321-60-4 Cat. No.: D123555 Formule: C₇H₆Br₂ Poids moléculaire: 249.94 Beilstein Registry Number: 3235502 Numéro CE: 680-918-1

QUALITÉ & PURETÉ ≥98%

Synonyms

CL8815 | GS-4492 | FT-0610563 | A19661 | 2,6-Dibromotoluene | EN300-96884 | DTXSID50219382 | SCHEMBL108973 | SY017640 | 1,3-Dibromo-2-methylbenzene # | AM20061043 | 1,3-Dibromo-2-methylbenzene | 1,3-DIBROMO-2-METHYL-BENZENE | Benzene, 1,3-dibromo-2-methyl

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

CL8815 | GS-4492 | FT-0610563 | A19661 | 2,6-Dibromotoluene | EN300-96884 | DTXSID50219382 | SCHEMBL108973 | SY017640 | 1,3-Dibromo-2-methylbenzene # | AM20061043 | 1,3-Dibromo-2-methylbenzene | 1,3-DIBROMO-2-METHYL-BENZENE | Benzene, 1,3-dibromo-2-methyl

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC1=C(C=CC=C1Br)Br

IUPAC Name

1,3-dibromo-2-methylbenzene

InChIKey

OCSKCBIGEMSDIS-UHFFFAOYSA-N

INCHI

1S/C7H6Br2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Isomères SMILES

CC1=C(C=CC=C1Br)Br

Poids moléculaire

249.94

Beilstein

3235502

Reaxy-Rn

3235502

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235502&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Toluenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Indice de réfraction: 1.606
• Point d'ébullition (°C): 112-113°C
• Point de fusion (°C): 2-6°C
• Poids moléculaire: 249.930 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 82.900
• 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