o-Xylene - Ultra dry, ≥99%, water≤30 ppm , CAS No.95-47-6

CAS: 95-47-6 Cat. No.: X1521078 Fórmula: C₈H₁₀ Peso molecular: 106.17 Beilstein Registry Number: 1815558 Número EC: 202-422-2

GRADE & PURITY Ultra dry, ≥99%, water≤30 ppm

Synonyms

1,2-Dimethylbenzene

Storage

Room temperature,Cool

Shipped In

FedEx DG Service

Descripción general

o-Xylene may be used in the synthesis of phthalic anhydride and phthalodinitrile.

Specifications

Sinónimos

1,2-Dimethylbenzene

Especificaciones y pureza

Ultra dry, ≥99%, water≤30 ppm

Condiciones de almacenamiento de almacenamiento

Room temperature,Cool

Enviado en

FedEx DG Service

Grado

Ultra dry

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CC1=CC=CC=C1C

IUPAC Name

1,2-xylene

InChIKey

CTQNGGLPUBDAKN-UHFFFAOYSA-N

INCHI

1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

Isómeros SMILES

CC1=CC=CC=C1C

WGK Alemania

1

Número ONU

1307

Grupo de embalaje

III

Peso molecular

106.17

Beilstein

1815558

Reaxy-Rn

1815558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1815558&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• External Descriptors: an aromatic compound

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

Propiedades químicas y físicas

• Solubilidad: Solubility：Insoluble in water; soluble in ether, alcohols and acetone.
• Índice de refracción: 1.5
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 31°C
• Punto de ebullición (°C): 144°C
• Punto de fusión (°C): -25°C
• Peso molecular: 106.160 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 106.078 Da
• Monoisotopic Mass: 106.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.400
• 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