2,6-Dimethylphenyl Isocyanate - ≥98%(GC) , CAS No.28556-81-2

CAS: 28556-81-2 Cat. No.: D155972 Peso molecular: 147.18 Número EC: 628-230-2

GRADE & PURITY ≥98%(GC)

Synonyms

2,6-DIMETHYLPHENYLENEISOCYANATE | BB 0260806 | AKOS005171728 | A819486 | I0410 | 2,6-Dimethylphenylisocyanate | UNII-2QL5MU0E0C | D91142 | LS-02813 | NSC 165602 | SY019592 | NSC165602 | NSC-165602 | 2-Isocyanato-1,3-dimethylbenzene | 2-isocyanato-1,3-dime

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

It is used in the preparation of derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography

Specifications

Sinónimos

2, 6-DIMETHYLPHENYLENEISOCYANATE | BB 0260806 | AKOS005171728 | A819486 | I0410 | 2, 6-Dimethylphenylisocyanate | UNII-2QL5MU0E0C | D91142 | LS-02813 | NSC 165602 | SY019592 | NSC165602 | NSC-165602 | 2-Isocyanato-1, 3-dimethylbenzene | 2-isocyanato-1, 3-dime

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=CC=C1)C)N=C=O
• IUPAC Name: 2-isocyanato-1,3-dimethylbenzene
• InChIKey: YQLRKXVEALTVCZ-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
• Isómeros SMILES: CC1=C(C(=CC=C1)C)N=C=O
• WGK Alemania: 3
• Peso molecular: 147.18
• Reaxy-Rn: 742593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742593&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: m-Xylenes
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 188.6 °F
• Punto de inflamación (°C): 87 °C
• Punto de ebullición (°C): 113 °C/35 mmHg
• Peso molecular: 147.170 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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