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Molecule
Diphenyl Chlorophosphate
CAS: 2524-64-3 · C12H10ClO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2524-64-3
- Molecular Formula
- C12H10ClO3P
- Molecular Mass
- 268.64 g/mol
Identifiers
CAS Registry Number
2524-64-3
SMILES
O=P(Cl)(Oc1ccccc1)Oc1ccccc1
InChI Key
BHIIGRBMZRSDRI-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Diphenyl Chlorophosphate Common Name
- DPPC Synonym
- Chlorophosphonic acid diphenyl ester Synonym
- Diphenyl phosphorochlorate Synonym
- Diphenylphosphoryl chloride Synonym
- DPC Synonym
- DPC (flame retardant) Synonym
- NSC 43771 Synonym
- Diphenyl chlorophosphonate Synonym
- Diphenyl phosphate chloride Synonym
- [Chloro(phenoxy)phosphoryl]oxybenzene Synonym
- Phosphorochloridic acid, diphenyl ester Synonym
- Phenyl phosphorochloridite Synonym
- Diphenyl phosphorochloridate Synonym
- Phenyl phosphorochloridate ((PhO)2ClPO) Synonym
- Diphenyl phosphochloridate Synonym
- Diphenyl chlorophosphate Synonym
- Diphenoxychlorophosphine oxide Synonym
- Chlorodiphenoxyphosphine oxide Synonym
- Diphenylphosphoric acid monochloride Synonym
- Phosphoric acid chloride diphenyl ester Synonym
- O,O-Diphenyl chlorophosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.64 g/mol | CAS Common Chemistry |
| 268.636 g/mol | RDKit | |
| 268.633 g/mol | chempirical lib | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.2957 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=P(Cl)(OC=1C=CC=CC1)OC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10ClO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=BHIIGRBMZRSDRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyl chlorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 4.4913000000000025 | RDKit |
| 4.4913 | RDKit | |
| Molar Refractivity | 67.59950000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 268.00560849000004 g/mol | RDKit |
| Boiling Point | 150-153 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 268.64 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
