Benzyl chloromethyl ether - ≥60% , CAS No.3587-60-8

CAS: 3587-60-8 Cat. No.: B107578 Molecular Weight: 156.61 Beilstein Registry Number: 1364034 EC Number: 628-927-1

GRADE & PURITY ≥60%

Synonyms

Benzyl chloromethyl ether, technical, ~60% (NMR) | Atlasol KAD | choromethylbenzyl ether | chloromethyl benzyl ether | chloromethylbenzylether | AKOS006221189 | F8881-5092 | 4-27-00-01069 (Beilstein Handbook Reference) | DTXSID2052736 | benzyl chlormethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Benzyl chloromethyl ether, technical, ~60% (NMR) | Atlasol KAD | choromethylbenzyl ether | chloromethyl benzyl ether | chloromethylbenzylether | AKOS006221189 | F8881-5092 | 4-27-00-01069 (Beilstein Handbook Reference) | DTXSID2052736 | benzyl chlormethyl

Specifications & Purity

≥60%

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

≥60%

Names and Identifiers

• Pubchem Sid: 504757147
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757147
• Canonical Smiles: C1=CC=C(C=C1)COCCl
• IUPAC Name: chloromethoxymethylbenzene
• InChIKey: LADPCMZCENPFGV-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• Isomeric SMILES: C1=CC=C(C=C1)COCCl
• WGK Germany: 3
• UN Number: 2810
• Molecular Weight: 156.61
• Beilstein: 1364034
• Reaxy-Rn: 1364034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364034&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Ether - Dialkyl ether - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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 [2.7 g/L (25 C)]
• Sensitivity: Heat & Moisture Sensitive
• Refractive Index: 1.5192
• Flash Point(°F): 91 °C
• Flash Point(°C): 91°C
• Boil Point(°C): 103°C
• Molecular Weight: 156.610 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.034 Da
• Monoisotopic Mass: 156.034 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 79.300
• 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