2,6-Dichlorophenyl Isocyanate - ≥95% , CAS No.39920-37-1

CAS: 39920-37-1 Cat. No.: D155977 Fórmula: C₇H₃Cl₂NO Peso molecular: 188.01 Número EC: 254-699-4

CALIDAD & PUREZA ≥95%

Synonyms

Isocyanic Acid 2,6-Dichlorophenyl Ester | 2,6-Dichlorophenylisocyanate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

Isocyanic Acid 2,6-Dichlorophenyl Ester | 2,6-Dichlorophenylisocyanate

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528771769

Sonrisas canónicas

C1=CC(=C(C(=C1)Cl)N=C=O)Cl

IUPAC Name

1,3-dichloro-2-isocyanatobenzene

InChIKey

HMVKMAMIRAVXAN-UHFFFAOYSA-N

INCHI

1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H

Isómeros SMILES

C1=CC(=C(C(=C1)Cl)N=C=O)Cl

WGK Alemania

3

Peso molecular

188.01

Reaxy-Rn

608323

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Solubilidad: Soluble in Toluene
• Sensibilidad: Heat & Moisture Sensitive
• Punto de inflamación (°F): 170.6 °F
• Punto de inflamación (°C): 77 °C
• Punto de ebullición (°C): 130°C/3mmHg(lit.)
• Punto de fusión (°C): 42-48°C
• Peso molecular: 188.010 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.959 Da
• Monoisotopic Mass: 186.959 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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