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Tris(1-chloro-2-propyl) phosphate, mixture of isomers - analytical standard, high purity , CAS No.13674-84-5
Basic Description
Synonyms
TCPP | tris(1-chloropropan-2-yl) phosphate | NCGC00257407-01 | MFCD00040408 | J50.405J | CS-0059312 | TRIS(.BETA.-CHLOROISOPROPYL) PHOSPHATE | TRIS(2-CHLOROISOPROPYL)PHOSPHATE | Q2454095 | Tris(1-chloro-2-propanyl) phosphate | NCGC00260528-01 | 2-Propanol
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
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 Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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
IUPAC Name
tris(1-chloropropan-2-yl) phosphate
INCHI
InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
InChIKey
KVMPUXDNESXNOH-UHFFFAOYSA-N
Smiles
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
Isomeric SMILES
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
RTECS
TC9000000
Molecular Weight
327.57
Beilstein
1842347
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
218-220°C
Molecular Weight
327.600 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
326.001 Da
Monoisotopic Mass
326.001 Da
Topological Polar Surface Area
44.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
216.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
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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10 Citations
F2218296