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Molecule
Tris(2-Chloroethyl) Phosphite
CAS: 140-08-9 · C6H12Cl3O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-08-9
- Molecular Formula
- C6H12Cl3O3P
- Molecular Mass
- 269.49 g/mol
Identifiers
CAS Registry Number
140-08-9
SMILES
ClCCOP(OCCCl)OCCCl
InChI Key
LUVCTYHBTXSAMX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
Names and Synonyms
- Tris(2-Chloroethyl) Phosphite Common Name
- Ethanol, 2-chloro-, 1,1′,1′′-phosphite Synonym
- Ethanol, 2-chloro-, phosphite (3:1) Synonym
- Ethanol, 2-chloro-, phosphite Synonym
- Tris(β-chloroethyl) phosphite Synonym
- Tris(2-chloroethyl) phosphite Synonym
- Tris(chloroethyl) phosphite Synonym
- Phosphorous acid, tris(2-chloroethyl) ester Synonym
- CLP 1 Synonym
- Tri(2-chloroethyl) phosphite Synonym
- NSC 6514 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.49 g/mol | CAS Common Chemistry |
| 269.49199999999996 g/mol | RDKit | |
| 269.492 g/mol | RDKit | |
| 269.483 g/mol | chempirical lib | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.353 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClCCOP(OCCCl)OCCCl | CAS Common Chemistry |
| InChI | InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LUVCTYHBTXSAMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(2-chloroethyl) phosphite | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.9795000000000016 | RDKit |
| 2.9795 | RDKit | |
| Molar Refractivity | 56.93600000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 267.95896391400004 g/mol | RDKit |
| Boiling Point | 119 °C @ 0.15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 269.49 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
