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Tributyl phosphate - reagent grade,≥97%, high purity , CAS No.126-73-8
Basic Description
Synonyms
CAS-126-73-8 | TRIBUTYL PHOSPHATE | Tributyl Phosphate 1000 microg/mL in Methanol | FT-0657452 | 95UAS8YAF5 | Tributoxyphosphine oxide | J-005429 | Tributyl phosphate, Pharmaceutical Secondary Standard; Certified Reference Material | DTXCID701986 | TRIBUT
Specifications & Purity
CP, ≥97%
Shipped In
Normal
Grade
CP
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
trialkyl phosphate
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
tributyl phosphate
INCHI
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
STCOOQWBFONSKY-UHFFFAOYSA-N
Smiles
CCCCOP(=O)(OCCCC)OCCCC
Isomeric SMILES
CCCCOP(=O)(OCCCC)OCCCC
WGK Germany
2
RTECS
TC7700000
PubChem CID
31357
Molecular Weight
266.32
Beilstein
1710584
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Refractive Index
1.425
Flash Point(°F)
293 °F
Flash Point(°C)
146℃
Boil Point(°C)
180-183°C
Melt Point(°C)
-79°C
Molecular Weight
266.310 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
12
Exact Mass
266.165 Da
Monoisotopic Mass
266.165 Da
Topological Polar Surface Area
44.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
175.000
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
Citations of This Product
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