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

CAS: 102-47-6 Cat. No.: D165515 Molecular Weight: 195.47 Beilstein Registry Number: 386644 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751404
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
• WGK Germany: 3
• UN Number: 3265
• Packing Group: II
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.58
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 241 °C
• Molecular Weight: 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