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(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
Names and Synonyms:
(2-Bromophenyl)Diphenylphosphine
Phosphine, (2-bromophenyl)diphenyl-
Phosphine, (o-bromophenyl)diphenyl-
(2-Bromophenyl)diphenylphosphine
(o-Bromophenyl)diphenylphosphine
2-(Diphenylphosphino)-1-bromobenzene
1-Bromo-2-(diphenylphosphino)benzene
2-(Diphenylphosphino)phenyl bromide
2-(Diphenylphosphino)bromobenzene
(2-Bromophenyl)-diphenylphosphane
Identifiers:
SMILES:
Brc1ccccc1P(c1ccccc1)c1ccccc1
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
Key Properties
Melting Point
115 °C @ Solvent: Ethanol
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 | 341.19 g/mol | CAS Common Chemistry |
| 341.18800000000005 g/mol | RDKit | |
| 340.001649178 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 |
| Molar Refractivity | 92.84800000000001 | RDKit |
