2-Bromo-m-xylene - ≥97% , CAS No.576-22-7

CAS: 576-22-7 Cat. No.: B104490 Summenformel: C₈H₉Br Molekulargewicht: 185.06 Beilstein Registry Number: 1929780 EG-Nummer: 209-397-7

GRADE & PURITY ≥97%

Synonyms

m-Xylene, 2-bromo- | FT-0611580 | 2,6-dimethylbrombenzene | PB47789 | J-508525 | Benzene, 2-bromo-1,3-dimethyl- | InChI=1/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H | AM20060272 | 2,6-Dimethylbromobenzene | 2,6-dimethyl-bromobenzene | 2-Bromo-1,3-dimethylbenz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

m-Xylene, 2-bromo- | FT-0611580 | 2,6-dimethylbrombenzene | PB47789 | J-508525 | Benzene, 2-bromo-1,3-dimethyl- | InChI=1/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H | AM20060272 | 2,6-Dimethylbromobenzene | 2,6-dimethyl-bromobenzene | 2-Bromo-1,3-dimethylbenz

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488184148
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184148
• Kanonisches Lächeln: CC1=C(C(=CC=C1)C)Br
• IUPAC Name: 2-bromo-1,3-dimethylbenzene
• InChIKey: MYMYVYZLMUEVED-UHFFFAOYSA-N
• INCHI: 1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
• Isomere SMILES: CC1=C(C(=CC=C1)C)Br
• WGK Deutschland: 3
• RTECS: CY9020000
• UN-Nummer: 2810
• Molekulargewicht: 185.06
• Beilstein: 1929780
• Reaxy-Rn: 1929780
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1929780&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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: Soluble in aqueous solution. Very soluble in ethanol, soluble in acetone and benzene.
• Empfindlichkeit: light sensitive
• Brechungsindex: 1.554-1.556
• Flammpunkt (°F): 165.2 °F
• Flammpunkt (°C): 73℃
• Siedepunkt (°C): 206°C
• Schmelzpunkt (°C): -10°C
• Molekulargewicht: 185.060 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 183.989 Da
• Monoisotopic Mass: 183.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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