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

CAS: 615-59-8 Cat. No.: D123558 Formula: C₇H₆Br₂ Peso molecolare: 249.93 Beilstein Registry Number: 1859123 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504752238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752238
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=C(C=CC(=C1)Br)Br
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.602
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 106-108°/10mm
• Punto di fusione (°C): 5-6°C
• Peso molecolare: 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

Riferimenti

1. Hongxia Peng, Yiwang Chen, Lie Chen, Xiaohui He, Fan Li.  (2010)  Luminescent mesogen jacketed poly(1-alkyne) bearing lateral terphenyl with hexyloxy tail.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  48  (24): (5679-5692).  [PMID:] [10.1002/pola.24361]

Domande frequenti

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.