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Chloromethyl isopropyl ether - technical grade, high purity , CAS No.3587-58-4
Basic Description
Synonyms
2-Chloromethoxy-propane | F8888-3183 | 2-(chloromethyloxy)propane | 4-(2-Aminothiazol-4-yl)-1-phenylazetidin-2-one | GSGPUGZLDGHFDO-UHFFFAOYSA-N | AKOS006377409 | Chloromethyl isopropyl ether | CHLOROMETHYL ISO-PROPYL ETHER | 2-(chloromethoxy)propane | A8
Specifications & Purity
technical grade
Storage Temp
Room temperature
Shipped In
Normal
Grade
technical grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Dialkyl ethers
Alternative Parents
Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyl ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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.
Names and Identifiers
Pubchem Sid
504767108
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767108
IUPAC Name
2-(chloromethoxy)propane
INCHI
InChI=1S/C4H9ClO/c1-4(2)6-3-5/h4H,3H2,1-2H3
InChIKey
GSGPUGZLDGHFDO-UHFFFAOYSA-N
Smiles
CC(C)OCCl
Isomeric SMILES
CC(C)OCCl
Molecular Weight
108.57
Reaxy-Rn
1731499
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731499&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
108.570 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
108.034 Da
Monoisotopic Mass
108.034 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
28.700
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
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