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Tris (2-chloroethyl) phosphate

CAT: 0127-BUP14863-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14863-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-96-8
Synonyms
Disflamoll TCA, Fyrol CEF, Celluflex
Purity
=98%
Smiles
P(OCCCl)(OCCCl)(OCCCl)=O

Chemical Information

Tris(2-chloroethyl) phosphate

Tris(2-chloroethyl) Phosphate can cause cancer according to The National Toxicology Program.

CAS Number115-96-8
PubChem CID8295
IUPAC Nametris(2-chloroethyl) phosphate
Molecular FormulaC6H12Cl3O4P
Molecular Weight285.5
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
C(CCl)OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
InChIKey
HQUQLFOMPYWACS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tris(2-chloroethyl) phosphate
CAS: 115-96-8
CID: 8295
Formula: C6H12Cl3O4P
MW: 285.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.5
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass283.953879
Monoisotopic Mass283.953879
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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