α,α'-Dichloro-m-xylene - ≥97% , CAS No.626-16-4

CAS: 626-16-4 Cat. No.: D106501 Molecular Weight: 175.06 Beilstein Registry Number: 2079898 EC Number: 210-932-1

GRADE & PURITY ≥97%

Synonyms

GRJWOKACBGZOKT-UHFFFAOYSA- | MFCD00000912 | Benzene,3-bis(chloromethyl)- | EINECS 210-932-1 | m-Xylene, alpha,alpha'-dichloro- | DTXSID4060814 | .alpha.,.alpha.'-Dichloro-m-xylene | LS-13409 | m-Xylylene Chloride | SY003525 | alpha,alpha'-Dichloro-m-xylen

Storage

Room temperature

Shipped In

Normal

Overview

α,α′-Dichloro-m-xylene is an α-chloroxylene derivative and its photolysis in polar and non-polar solvents has been reported.Reactivity of α,α′-dichloro-m-xylene towards [Pt2(μ-S)2(PPh3)4] has been investigated.
α,α′-Dichloro-m-xylene is suitable for use in the synthesis of 1,7-bis(6-methoxy-2-formylphenyl)-1,7-dioxaheptane.

Specifications

Synonyms

GRJWOKACBGZOKT-UHFFFAOYSA- | MFCD00000912 | Benzene, 3-bis(chloromethyl)- | EINECS 210-932-1 | m-Xylene, alpha, alpha'-dichloro- | DTXSID4060814 | .alpha., .alpha.'-Dichloro-m-xylene | LS-13409 | m-Xylylene Chloride | SY003525 | alpha, alpha'-Dichloro-m-xylen

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488181601
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181601
• Canonical Smiles: C1=CC(=CC(=C1)CCl)CCl
• IUPAC Name: 1,3-bis(chloromethyl)benzene
• InChIKey: GRJWOKACBGZOKT-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
• Isomeric SMILES: C1=CC(=CC(=C1)CCl)CCl
• WGK Germany: 3
• RTECS: ZE4070000
• UN Number: 2811
• Molecular Weight: 175.06
• Beilstein: 2079898
• Reaxy-Rn: 2079898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl chlorides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl 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 benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
• 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

• Solubility: Insoluble in water
• Freezing Point(°C): 32 °C
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 112℃
• Boil Point(°C): 254°C
• Melt Point(°C): 36°C
• Molecular Weight: 175.050 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 174 Da
• Monoisotopic Mass: 174 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 83.300
• 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