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Molecule
4-Methoxytrityl Chloride
CAS: 14470-28-1 · C20H17ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14470-28-1
- Molecular Formula
- C20H17ClO
- Molecular Mass
- 308.81 g/mol
Identifiers
CAS Registry Number
14470-28-1
SMILES
COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChI Key
OBOHMJWDFPBPKD-UHFFFAOYSA-N
InChI
InChI=1S/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3
Names and Synonyms
- 4-Methoxytrityl Chloride Synonym
- Benzene, 1-(chlorodiphenylmethyl)-4-methoxy- Synonym
- Anisole, p-(chlorodiphenylmethyl)- Synonym
- 1-(Chlorodiphenylmethyl)-4-methoxybenzene Synonym
- (p-Anisyl)diphenylmethyl chloride Synonym
- Mono-p-methoxytrityl chloride Synonym
- 4-Methoxytriphenylmethyl chloride Synonym
- 4-Monomethoxytrityl chloride Synonym
- p-(Chlorodiphenylmethyl)anisole Synonym
- p-Methoxytrityl chloride Synonym
- 4-Methoxytrityl chloride Synonym
- 4-Anisyl(chloro)diphenylmethane Synonym
- p-Anisylchlorodiphenylmethane Synonym
- NSC 54121 Synonym
- MMTCl Synonym
- [(Chloro)(4-methoxyphenyl)methylene]dibenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.81 g/mol | CAS Common Chemistry |
| 308.80800000000005 g/mol | RDKit | |
| 308.808 g/mol | RDKit | |
| 308.805 g/mol | chempirical lib | |
| Canonical SMILES | ClC(C=1C=CC=CC1)(C=2C=CC=CC2)C3=CC=C(OC)C=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OBOHMJWDFPBPKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-121 °C @ Solvent: Diethyl ether | CAS Common Chemistry |
| Name | 4-Methoxytrityl chloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 5.225900000000004 | RDKit |
| 5.2259 | RDKit | |
| Molar Refractivity | 91.61300000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 308.096792844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 308.81 g/mol. Edit any field — others recompute live.
