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Molecule
2-Chlorotrityl Chloride
CAS: 42074-68-0 · C19H14Cl2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42074-68-0
- Molecular Formula
- C19H14Cl2
- Molecular Mass
- 313.23 g/mol
Identifiers
CAS Registry Number
42074-68-0
SMILES
Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChI Key
JFLSOKIMYBSASW-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Chlorotrityl Chloride Systematic Name
- Benzene, 1-chloro-2-(chlorodiphenylmethyl)- Synonym
- 1-Chloro-2-(chlorodiphenylmethyl)benzene Synonym
- 2-Chlorophenyldiphenylmethyl chloride Synonym
- o-Chlorotriphenylchloromethane Synonym
- Chloro(2-chlorophenyl)diphenylmethane Synonym
- Diphenyl-2-chlorophenylmethyl chloride Synonym
- 2-Chlorophenyldiphenylchloromethane Synonym
- 2-Chlorotrityl chloride Synonym
- (Chloro(2-chlorophenyl)methylene)dibenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.23 g/mol | CAS Common Chemistry |
| 313.22700000000003 g/mol | RDKit | |
| 313.227 g/mol | RDKit | |
| 313.221 g/mol | chempirical lib | |
| 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 |
| 5.8707 | RDKit | |
| Molar Refractivity | 90.07100000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 312.047255808 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 313.23 g/mol. Edit any field — others recompute live.
