3,4-Dichlorobenzyl chloride - ≥97% , CAS No.102-47-6

CAS: 102-47-6 Cat. No.: D165515 Peso molecular: 195.47 Beilstein Registry Number: 386644 Número EC: 203-033-0

GRADE & PURITY ≥97%

Synonyms

1,2-dichloro-4-(chloromethyl)benzene;3,4-Dichlorobenzyl chloride | 3,4dichlorobenzyl chloride | 3,4-Dichlorobenzyl chloride | BP-21046 | AI3-14887 | AKOS000119571 | 3,4,.ALPHA.-TRICHLOROTOLUENE | SCHEMBL407334 | 3,4-diclorobenzyl chloride | F0001-0068 | B

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

1, 2-dichloro-4-(chloromethyl)benzene;3, 4-Dichlorobenzyl chloride | 3, 4dichlorobenzyl chloride | 3, 4-Dichlorobenzyl chloride | BP-21046 | AI3-14887 | AKOS000119571 | 3, 4, .ALPHA.-TRICHLOROTOLUENE | SCHEMBL407334 | 3, 4-diclorobenzyl chloride | F0001-0068 | B

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504751404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751404
• Sonrisas canónicas: C1=CC(=C(C=C1CCl)Cl)Cl
• IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene
• InChIKey: YZIFVWOCPGPNHB-UHFFFAOYSA-N
• INCHI: 1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
• WGK Alemania: 3
• Número ONU: 3265
• Grupo de embalaje: II
• Peso molecular: 195.47
• Beilstein: 386644
• Reaxy-Rn: 386644
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386644&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: Benzyl chlorides Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl halide - Benzyl chloride - 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.58
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 241 °C
• Peso molecular: 195.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.946 Da
• Monoisotopic Mass: 193.946 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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