1,2-Dichlorobenzene - Electronic grade, UP grade, used for 1,2-Dichlorobenzene may be used as a starting material in the synthesis of (phenyl)[2-(trimethylsilyl)phenyl]iodonium triflates and 1,2-dibutylbenzene. various applications , CAS No.95-50-1

CAS: 95-50-1 Cat. No.: D1526034 Fórmula: C₆H₄Cl₂ Peso molecular: 147.00 Número CE: 202-425-9

GRADE & PURITY Electronic grade, UP grade

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

Electronic grade, UP grade

Aplicação

1,2-Dichlorobenzene may be used as a starting material in the synthesis of (phenyl)[2-(trimethylsilyl)phenyl]iodonium triflates and 1,2-dibutylbenzene.

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Grau

Nível UP, Qualidade eletrónica

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C(=C1)Cl)Cl

IUPAC Name

1,2-dichlorobenzene

InChIKey

RFFLAFLAYFXFSW-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H

SMILES isoméricas

C1=CC=C(C(=C1)Cl)Cl

Número UN

1591

Grupo de embalagem

III

Peso molecular

147.00

Reaxy-Rn

606078

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606078&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: 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: a chloroaromatic 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

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Índice de refração: 1.55
• Ponto de inflamação (°C): 66°C
• Ponto de ebulição (°C): 180.5°C
• Peso molecular: 147.000 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.969 Da
• Monoisotopic Mass: 145.969 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• 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