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Tris(chloroethyl) Phosphite (85%)

CAT: 0572-TRC-T886560-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T886560-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140-08-9
Synonyms
CLP 1; NSC 6514; Phosphorous Acid Tris(2-chloroethyl) Ester; Tri(2-chloroethyl) Phosphite; Tris(2-chloroethyl) Phosphite; Tris(beta-chloroethyl) Phosphite
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Smiles
ClCCOP(OCCCl)OCCCl
Molecular Formula
C6H12Cl3O3P
Molecular Weight
269.49
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tris(2-chloroethyl) phosphite

Tris(2-chloroethyl)phosphite is a clear colorless liquid. (NTP, 1992)

CAS Number140-08-9
PubChem CID8783
IUPAC Nametris(2-chloroethyl) phosphite
Molecular FormulaC6H12Cl3O3P
Molecular Weight269.5
XLogP1.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity90
SMILES
C(CCl)OP(OCCCl)OCCCl
InChI
InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
InChIKey
LUVCTYHBTXSAMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tris(2-chloroethyl) phosphite
CAS: 140-08-9
CID: 8783
Formula: C6H12Cl3O3P
MW: 269.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass267.958964
Monoisotopic Mass267.958964
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity90.1
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