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Trityl Bromide
CAS: 596-43-0 | C19H15Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
596-43-0
Molecular Formula:
C19H15Br
Molecular Mass:
323.23 g/mol
Names and Synonyms:
Trityl Bromide
Benzene, 1,1′,1′′-(bromomethylidyne)tris-
Methane, bromotriphenyl-
1,1′,1′′-(Bromomethylidyne)tris[benzene]
Triphenylmethyl bromide
Trityl bromide
Bromotriphenylmethane
α-Bromotriphenylmethane
Triphenylbromomethane
NSC 66464
[Bromo(diphenyl)methyl]benzene
Identifiers:
SMILES:
BrC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Key Properties
Melting Point
153 °C
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 | 323.23 g/mol | CAS Common Chemistry |
| 323.23300000000006 g/mol | RDKit | |
| 322.03571258000005 g/mol | RDKit | |
| Canonical SMILES | BrC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=NZHXEWZGTQSYJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | Trityl bromide | 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 | 5.373400000000004 | RDKit |
| Molar Refractivity | 88.13500000000003 | RDKit |
