Dichlorodiphenoxymethane - ≥95% , CAS No.4885-03-4

CAS: 4885-03-4 Cat. No.: D331105 Formula: C₁₃H₁₀Cl₂O₂ Molecular Weight: 269.12 EC Number: 628-047-8

GRADE & PURITY ≥95%

Synonyms

diphenoxydichloromethane|Phosgene diphenyl acetal|1,1-dichloro-1,1-diphenoxymethane|[dichloro(phenoxy)methoxy]benzene|Dichlorodiphenoxymethane|Benzene, 1,1'-[(dichloromethylene)bis(oxy)]bis-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Dichlorodiphenoxymethane is a reactant for cyclocondensation of aminophenols and amines, and the preparation of LIM-Kinase 2 inhibitors for the treatment of ocular hypertension.

Specifications

Synonyms

diphenoxydichloromethane | Phosgene diphenyl acetal | 1,1-dichloro-1,1-diphenoxymethane | [dichloro(phenoxy)methoxy]benzene | Dichlorodiphenoxymethane | Benzene, 1,1'-[(dichloromethylene)bis(oxy)]bis-

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

Canonical Smiles

C1=CC=C(C=C1)OC(OC2=CC=CC=C2)(Cl)Cl

IUPAC Name

[dichloro(phenoxy)methoxy]benzene

InChIKey

TVIUSKXXXZSVJU-UHFFFAOYSA-N

INCHI

1S/C13H10Cl2O2/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H

Isomeric SMILES

C1=CC=C(C=C1)OC(OC2=CC=CC=C2)(Cl)Cl

Molecular Weight

269.12

Reaxy-Rn

2371671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2371671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Melt Point(°C): 39-44° C (lit.)
• Molecular Weight: 269.120 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.006 Da
• Monoisotopic Mass: 268.006 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 199.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4885-03-4, the molecular formula is C13H10Cl2O2, and the molecular weight is 269.12 g/mol. InChIKey TVIUSKXXXZSVJU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.