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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
Names and Synonyms:
4-Methoxytrityl Chloride
Benzene, 1-(chlorodiphenylmethyl)-4-methoxy-
Anisole, p-(chlorodiphenylmethyl)-
1-(Chlorodiphenylmethyl)-4-methoxybenzene
(p-Anisyl)diphenylmethyl chloride
Mono-p-methoxytrityl chloride
4-Methoxytriphenylmethyl chloride
4-Monomethoxytrityl chloride
p-(Chlorodiphenylmethyl)anisole
p-Methoxytrityl chloride
4-Methoxytrityl chloride
4-Anisyl(chloro)diphenylmethane
p-Anisylchlorodiphenylmethane
NSC 54121
MMTCl
[(Chloro)(4-methoxyphenyl)methylene]dibenzene
Identifiers:
SMILES:
COc1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
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
Key Properties
Melting Point
120-121 °C @ Solvent: Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 308.81 g/mol | CAS Common Chemistry |
| 308.80800000000005 g/mol | RDKit | |
| 308.096792844 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 91.61300000000004 | RDKit |
