4,4′-DDM - ≥95% , CAS No.101-76-8

CAS: 101-76-8 Cat. No.: D357064 Molecular Weight: 237.12 Beilstein Registry Number: 1873121 EC Number: 202-973-9

GRADE & PURITY ≥95%

Synonyms

1-Chloro-4-(4-chlorobenzyl)benzene # | Diphenylmethane, 4,4'-dichloro | Bis-(4-chlorophenyl)-methane | Bis(4'-chlorophenyl)methane | Bis(4-chlorophenyl)methane | Bis(p-chlorophenyl)methane | AI3-09103 | Q27103881 | DBM (the methane derivative) | p,p'-Dich

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application：

4,4'-DDM is a common pesticidal residue found as contaminants in various environmental systems.

Specifications

Synonyms

1-Chloro-4-(4-chlorobenzyl)benzene # | Diphenylmethane, 4, 4'-dichloro | Bis-(4-chlorophenyl)-methane | Bis(4'-chlorophenyl)methane | Bis(4-chlorophenyl)methane | Bis(p-chlorophenyl)methane | AI3-09103 | Q27103881 | DBM (the methane derivative) | p, p'-Dich

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504751396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751396
• Canonical Smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl
• IUPAC Name: 1-chloro-4-[(4-chlorophenyl)methyl]benzene
• InChIKey: LQGSWLJZAKVBJH-UHFFFAOYSA-N
• INCHI: 1S/C13H10Cl2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
• Isomeric SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)Cl
• WGK Germany: 3
• RTECS: PA3925000
• Molecular Weight: 237.12
• Beilstein: 1873121
• Reaxy-Rn: 1873121
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873121&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: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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: monochlorobenzenes - chlorophenylmethane

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.
• Refractive Index: n20D1.59 (Predicted)
• Boil Point(°C): 186-190° C at 18 mmHg
• Melt Point(°C): 55-56° C
• Molecular Weight: 237.120 g/mol
• XLogP3: 4.900
• 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: 157.000
• 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