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Triisopropyl phosphate - 95%, high purity , CAS No.513-02-0
Basic Description
Synonyms
Phosphoric acid, tris(1-methylethyl) ester | Triisopropyl phosphate, analytical standard | MFCD00015490 | DTXSID90199295 | phosphoric acid triisopropyl ester | Phosphoric acid, triisopropyl ester | NCIOpen2_002645 | CS-0160289 | FT-0727890 | SCHEMBL80155
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Alkyl phosphates
Direct Parent
Trialkyl phosphates
Alternative Parents
Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
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
488184101
IUPAC Name
tripropan-2-yl phosphate
INCHI
InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
InChIKey
OXFUXNFMHFCELM-UHFFFAOYSA-N
Smiles
CC(C)OP(=O)(OC(C)C)OC(C)C
Isomeric SMILES
CC(C)OP(=O)(OC(C)C)OC(C)C
WGK Germany
3
PubChem CID
68188
UN Number
1993
Packing Group
II
Molecular Weight
224.23
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20D1.4070 (lit.)
Flash Point(°F)
73.4 °F
Flash Point(°C)
23 °C
Boil Point(°C)
224° C (lit.)
Molecular Weight
224.230 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
224.118 Da
Monoisotopic Mass
224.118 Da
Topological Polar Surface Area
44.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
168.000
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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