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2-Chlorotrityl Chloride
CAS: 42074-68-0 | C19H14Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42074-68-0
Molecular Formula:
C19H14Cl2
Molecular Mass:
313.23 g/mol
Names and Synonyms:
2-Chlorotrityl Chloride
Benzene, 1-chloro-2-(chlorodiphenylmethyl)-
1-Chloro-2-(chlorodiphenylmethyl)benzene
2-Chlorophenyldiphenylmethyl chloride
o-Chlorotriphenylchloromethane
Chloro(2-chlorophenyl)diphenylmethane
Diphenyl-2-chlorophenylmethyl chloride
2-Chlorophenyldiphenylchloromethane
2-Chlorotrityl chloride
(Chloro(2-chlorophenyl)methylene)dibenzene
Identifiers:
SMILES:
Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
Key Properties
Melting Point
136 °C @ Solvent: Benzene
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 | 313.23 g/mol | CAS Common Chemistry |
| 313.22700000000003 g/mol | RDKit | |
| 312.047255808 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC=CC1C(Cl)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=JFLSOKIMYBSASW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2-Chlorotrityl chloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 5.870700000000004 | RDKit |
| Molar Refractivity | 90.07100000000003 | RDKit |
