Chloromethyl Methyl Carbonate - ≥98% , CAS No.40510-81-4

CAS: 40510-81-4 Cat. No.: C347908 Molecular Weight: 124.52 EC Number: 849-140-1

GRADE & PURITY ≥98%

Synonyms

AMY37648 | EN300-97928 | Chloromethyl Methyl Carbonate | FT-0664795 | A3Y4CDQ6XX | MFCD19232041 | R10013 | MFSHZGFPADYOTO-UHFFFAOYSA-N | Methoxycarbonyloxymethyl Chloride | AKOS006383195 | UNII-A3Y4CDQ6XX | Carbonic Acid Chloromethyl Methyl Ester | Carbon

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Chloromethyl Methyl Carbonate is a reagent used in the preparation of prodrugs of diacidic nonpeptide angiotensin II antagonist as well as pyrrolothiazole platelet activating factor antagonist.

Specifications

Synonyms

AMY37648 | EN300-97928 | Chloromethyl Methyl Carbonate | FT-0664795 | A3Y4CDQ6XX | MFCD19232041 | R10013 | MFSHZGFPADYOTO-UHFFFAOYSA-N | Methoxycarbonyloxymethyl Chloride | AKOS006383195 | UNII-A3Y4CDQ6XX | Carbonic Acid Chloromethyl Methyl Ester | Carbon

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504767721
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767721
• Canonical Smiles: COC(=O)OCCl
• IUPAC Name: chloromethyl methyl carbonate
• InChIKey: MFSHZGFPADYOTO-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO3/c1-6-3(5)7-2-4/h2H2,1H3
• Isomeric SMILES: COC(=O)OCCl
• Molecular Weight: 124.52
• Reaxy-Rn: 1746634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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

• Sensitivity: Moisture sensitive；Heat sensitive
• Flash Point(°C): 40℃
• Boil Point(°C): 138 °C
• Molecular Weight: 124.520 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 123.993 Da
• Monoisotopic Mass: 123.993 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 63.200
• 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