2,3-Dichlorofluorobenzene - ≥98% , CAS No.36556-50-0

CAS: 36556-50-0 Cat. No.: D695587 분자식: C₆H₃Cl₂F 분자량: 164.99 EC 번호: 670-879-9

GRADE & PURITY ≥98%

Synonyms

1,2-Dichloro-3-fluorobenzene

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

1,2-Dichloro-3-fluorobenzene

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

528755272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755272

정식 스마일

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

IUPAC Name

1,2-dichloro-3-fluorobenzene

InChIKey

NPXCSDPOOVOVDQ-UHFFFAOYSA-N

INCHI

1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H

이성체 SMILES

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

분자량

164.99

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: Fluorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Hydrocarbon derivative - Organofluoride - 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: 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

화학 및 물리적 특성

• 끓는점(°C): 80°/22mm
• 분자량: 164.990 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.96 Da
• Monoisotopic Mass: 163.96 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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