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Dichlorophenylphosphine
CAS: 644-97-3 | C6H5Cl2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
644-97-3
Molecular Formula:
C6H5Cl2P
Molecular Mass:
178.99 g/mol
Names and Synonyms:
Dichlorophenylphosphine
Phosphonous dichloride, P-phenyl-
Phosphonous dichloride, phenyl-
P-Phenylphosphonous dichloride
Dichlorophenylphosphine
Phenyldichlorophosphine
Phenylphosphonous dichloride
Phenylphosphine dichloride
Phosphine, dichlorophenyl-
Phenyl phosphorus dichloride
Phenylphosphonous acid dichloride
Phenylphosphinous dichloride
NSC 66478
Identifiers:
SMILES:
ClP(Cl)c1ccccc1
InChI:
InChI=1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
Key Properties
Boiling Point
99-101 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
-51 °C
CAS Common Chemistry
Density
1.36 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.99 g/mol | CAS Common Chemistry |
| 178.98600000000002 g/mol | RDKit | |
| 177.95059215 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.356 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichlorophenylphosphine | CAS Common Chemistry |
| Boiling Point | 99-101 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP(Cl)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=IMDXZWRLUZPMDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -51 °C | CAS Common Chemistry |
| Name | Dichlorophenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.101400000000001 | RDKit |
| Molar Refractivity | 44.70200000000001 | RDKit |
