2,5-Dibromotoluene - ≥98% , CAS No.615-59-8

CAS: 615-59-8 Cat. No.: D123558 Formule: C₇H₆Br₂ Poids moléculaire: 249.93 Beilstein Registry Number: 1859123 Numéro CE: 210-437-0

GRADE & PURITY ≥98%

Synonyms

AM62222 | InChI=1/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H | 2,5-DIBROMO TOLUENE | 2,5-Dibromotoluene, 98% | Z1262253894 | Toluene, 2,5-dibromo- | NSC 6222 | 1,4-Dibromo-2-methylbenzene # | 2,5-DIBROMOTOLUENE | 2,5-dibromo-toluene | EINECS 210-437-0 | 1,4-Di

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application

2,5-Dibromotoluene has been used:

as internal standard for quantification of cyanide and thiocyanate in human saliva by GC-MS

in the preparation of 2,5-bis(4′-alkoxycarbonylphenyl)styrenes, monomers required for the synthesis of mesogen-jacketed liquid-crystal polymers

Specifications

Synonymes

AM62222 | InChI=1/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H | 2,5-DIBROMO TOLUENE | 2,5-Dibromotoluene, 98% | Z1262253894 | Toluene, 2,5-dibromo- | NSC 6222 | 1,4-Dibromo-2-methylbenzene # | 2,5-DIBROMOTOLUENE | 2,5-dibromo-toluene | EINECS 210-437-0 | 1,4-Di

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752238

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752238

Sourires canoniques

CC1=C(C=CC(=C1)Br)Br

IUPAC Name

1,4-dibromo-2-methylbenzene

InChIKey

QKEZTJYRBHOKHH-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CC1=C(C=CC(=C1)Br)Br

WGK Allemagne

3

Poids moléculaire

249.93

Beilstein

1859123

Reaxy-Rn

1859123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859123&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: 1.602
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110°C
• Point d'ébullition (°C): 106-108°/10mm
• Point de fusion (°C): 5-6°C
• Poids moléculaire: 249.930 g/mol
• XLogP3: 4.300
• 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: 92.900
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 615-59-8, the molecular formula is C7H6Br2, and the molecular weight is 249.93 g/mol. InChIKey QKEZTJYRBHOKHH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.