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 분자식: C₆H₄Cl₂ 분자량: 147.00 EC 번호: 202-425-9

GRADE & PURITY Electronic grade, UP grade

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

사양 및 순도

Electronic grade, UP grade

애플리케이션

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

보관 조건

Protected from light,Room temperature

배송

Normal

등급

UP 등급, 전자용 등급

이름과 식별자

정식 스마일

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

이성체 SMILES

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

UN 번호

1591

포장 그룹

III

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: light sensitive
• 굴절률: 1.55
• 발화점(°C): 66°C
• 끓는점(°C): 180.5°C
• 분자량: 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