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Diethyl (Trichloromethyl)phosphonate - ≥95%, high purity , CAS No.866-23-9
Basic Description
Synonyms
(Trichloromethyl)phosphonic Acid Diethyl Ester
Specifications & Purity
≥95%
Storage Temp
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphonic acids and derivatives
Subclass
Phosphonic acid diesters
Intermediate Tree Nodes
Not available
Direct Parent
Dialkyl alkylphosphonates
Alternative Parents
Phosphonic acid esters Trihalomethanes Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyl alkylphosphonate - Phosphonic acid ester - Trihalomethane - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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.
Names and Identifiers
IUPAC Name
1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
INCHI
InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey
RVAQSYWDOSHWGP-UHFFFAOYSA-N
Smiles
CCOP(=O)(C(Cl)(Cl)Cl)OCC
Isomeric SMILES
CCOP(=O)(C(Cl)(Cl)Cl)OCC
WGK Germany
3
RTECS
TA0988000
Molecular Weight
255.46
Beilstein
1210640
Reaxy-Rn
1210640
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210640&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water; Miscible with Ethanol,Acetone,Ether
Sensitivity
Moisture Sensitive,Heat Sensitive
Refractive Index
1.46
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Boil Point(°C)
135°C/20mmHg(lit.)
Molecular Weight
255.500 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
253.943 Da
Monoisotopic Mass
253.943 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
169.000
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
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F2525209