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 分子式: C₆H₄Cl₂ 分子量: 147.00 EC番号: 202-425-9

GRADE & PURITY Electronic grade, UP grade

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

仕様と純度

Electronic grade, UP grade

申し込み

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

保管条件

Protected from light,Room temperature

入荷

Normal

等級

UPクラス, 電子グレード

名前と識別子

カノニカル・スマイル

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

異性体SMILES

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

UN番号

1591

包装グループ

III

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: light sensitive
• 屈折率: 1.55
• 引火点（°C）: 66°C
• 沸点（°C）: 180.5°C
• 分子量: 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