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Molecule
(2-Bromophenyl)Diphenylphosphine
CAS: 62336-24-7 · C18H14BrP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62336-24-7
- Molecular Formula
- C18H14BrP
- Molecular Mass
- 341.19 g/mol
Identifiers
CAS Registry Number
62336-24-7
SMILES
Brc1ccccc1P(c1ccccc1)c1ccccc1
InChI Key
XIONUQPOXCUMMB-UHFFFAOYSA-N
InChI
InChI=1S/C18H14BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
Names and Synonyms
- (2-Bromophenyl)Diphenylphosphine Synonym
- Phosphine, (2-bromophenyl)diphenyl- Synonym
- Phosphine, (o-bromophenyl)diphenyl- Synonym
- (2-Bromophenyl)diphenylphosphine Synonym
- (o-Bromophenyl)diphenylphosphine Synonym
- 2-(Diphenylphosphino)-1-bromobenzene Synonym
- 1-Bromo-2-(diphenylphosphino)benzene Synonym
- 2-(Diphenylphosphino)phenyl bromide Synonym
- 2-(Diphenylphosphino)bromobenzene Synonym
- (2-Bromophenyl)-diphenylphosphane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.19 g/mol | CAS Common Chemistry |
| 341.18800000000005 g/mol | RDKit | |
| 341.188 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(2-Bromophenyl)diphenylphosphine | CAS Common Chemistry |
| Canonical SMILES | BrC=1C=CC=CC1P(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H14BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=XIONUQPOXCUMMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | (2-Bromophenyl)diphenylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.207300000000003 | RDKit |
| 4.2073 | RDKit | |
| 4.49 | chempirical lib | |
| Molar Refractivity | 92.84800000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 340.001649178 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
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 = 341.19 g/mol. Edit any field — others recompute live.
