m-Xylylene dibromide - ≥97%(GC) , CAS No.626-15-3

CAS: 626-15-3 Cat. No.: A133958 Summenformel: C₈H₈Br₂ Molekulargewicht: 263.96 Beilstein Registry Number: 5374 EG-Nummer: 210-931-6

GRADE & PURITY ≥97%(GC)

Synonyms

alpha, alpha'-dibromo-m-xylene | NSC28040 | NSC-28040 | UNII-MTF8V3HX3H | .alpha.,.alpha.'-Dibromo-m-xylene | 1,3-Bis(bromomethyl)benzene | 1,3-bis-(Bromomethyl)-benzene | m-Xylylene Bromide | alpha,alpha'-Dibromo-m-xylene, purum, >=95.0% (GC) | AS-11485

Storage

Room temperature

Shipped In

Normal

Übersicht

product description：

α,α′-Dibromo-m-xylene has been used in preparation of four novel dinuclear half-titanocenes with meta- and orthoxylene bridges as new metallocenes. It was used in the synthesis of dissymmetrical bis-macrocyclic salt.

Specifications

Synonyme

alpha, alpha'-dibromo-m-xylene | NSC28040 | NSC-28040 | UNII-MTF8V3HX3H | .alpha.,.alpha.'-Dibromo-m-xylene | 1,3-Bis(bromomethyl)benzene | 1,3-bis-(Bromomethyl)-benzene | m-Xylylene Bromide | alpha,alpha'-Dibromo-m-xylene, purum, >=95.0% (GC) | AS-11485

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

488184304

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184304

Kanonisches Lächeln

C1=CC(=CC(=C1)CBr)CBr

IUPAC Name

1,3-bis(bromomethyl)benzene

InChIKey

OXHOPZLBSSTTBU-UHFFFAOYSA-N

INCHI

1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

Isomere SMILES

C1=CC(=CC(=C1)CBr)CBr

WGK Deutschland

3

Molekulargewicht

263.96

Beilstein

5374

Reaxy-Rn

971085

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971085&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: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Hydrocarbon derivative - 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

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Light sensitive
• Siedepunkt (°C): 140°C
• Schmelzpunkt (°C): 74-76°C
• Molekulargewicht: 263.960 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 263.897 Da
• Monoisotopic Mass: 261.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.300
• 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