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Molecule
Chlorodiphenylphosphine
CAS: 1079-66-9 · C12H10ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1079-66-9
- Molecular Formula
- C12H10ClP
- Molecular Mass
- 220.64 g/mol
Identifiers
CAS Registry Number
1079-66-9
SMILES
ClP(c1ccccc1)c1ccccc1
InChI Key
XGRJZXREYAXTGV-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Chlorodiphenylphosphine Synonym
- Phosphinous chloride, P,P-diphenyl- Synonym
- Phosphinous chloride, diphenyl- Synonym
- P,P-Diphenylphosphinous chloride Synonym
- Chlorodiphenylphosphine Synonym
- Diphenylphosphinous chloride Synonym
- Diphenylchlorophosphine Synonym
- Phosphine, chlorodiphenyl- Synonym
- Diphenylphosphine chloride Synonym
- Diphenylphosphorus chloride Synonym
- NSC 60407 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.64 g/mol | CAS Common Chemistry |
| 220.639 g/mol | RDKit | |
| 220.636 g/mol | chempirical lib | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.19 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorodiphenylphosphine | CAS Common Chemistry |
| Canonical SMILES | ClP(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=XGRJZXREYAXTGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15-16 °C | CAS Common Chemistry |
| Name | Chlorodiphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.2731000000000012 | RDKit |
| 3.2731 | RDKit | |
| 3.28 | chempirical lib | |
| Molar Refractivity | 64.92500000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 220.02086463 g/mol | RDKit |
| Boiling Point | 100-102 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 = 220.64 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
