α,α-Dichlorodiphenylmethane - ≥97% , CAS No.2051-90-3

CAS: 2051-90-3 Cat. No.: D312120 Molecular Weight: 237.12 Beilstein Registry Number: 1910601 EC Number: 218-134-5

GRADE & PURITY ≥97%

Synonyms

Benzene, 1,1'-(dichloromethylene)bis- | Benzophenone dichloride | alpha,alpha-Dichlorodiphenylmethane, 97% | alpha,alpha-Dichlorodiphenylmethane | Diphenyldichloromethane;NSC 37425 | UNII-81FEZ29AK6 | D89637 | Benzene,1'-(dichloromethylene)bis- | Dichloro

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzene, 1, 1'-(dichloromethylene)bis- | Benzophenone dichloride | alpha, alpha-Dichlorodiphenylmethane, 97% | alpha, alpha-Dichlorodiphenylmethane | Diphenyldichloromethane;NSC 37425 | UNII-81FEZ29AK6 | D89637 | Benzene, 1'-(dichloromethylene)bis- | Dichloro

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752749
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl
• IUPAC Name: [dichloro(phenyl)methyl]benzene
• InChIKey: OPTDDWCXQQYKGU-UHFFFAOYSA-N
• INCHI: 1S/C13H10Cl2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(Cl)Cl
• WGK Germany: 3
• UN Number: 1760
• Packing Group: II
• Molecular Weight: 237.12
• Beilstein: 1910601
• Reaxy-Rn: 1910601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910601&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: Soluble in water (reacts), ether, benzene, ethanol, and toluene.
• Sensitivity: Moisture and Air sensitive
• Refractive Index: 1.61
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 193°C/30mmHg
• Molecular Weight: 237.120 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 236.016 Da
• Monoisotopic Mass: 236.016 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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