Back to Search
Molecule
Triphenylmethyl Chloride
CAS: 76-83-5 · C19H15Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76-83-5
- Molecular Formula
- C19H15Cl
- Molecular Mass
- 278.78 g/mol
Identifiers
CAS Registry Number
76-83-5
SMILES
ClC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
JBWKIWSBJXDJDT-UHFFFAOYSA-N
InChI
InChI=1S/C19H15Cl/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
Names and Synonyms
- Triphenylmethyl Chloride Common Name
- Benzene, 1,1′,1′′-(chloromethylidyne)tris- Synonym
- Methane, chlorotriphenyl- Synonym
- 1,1′,1′′-(Chloromethylidyne)tris[benzene] Synonym
- Chlorotriphenylmethane Synonym
- Triphenylchloromethane Synonym
- Triphenylmethyl chloride Synonym
- Trityl chloride Synonym
- NSC 435 Synonym
- (Chlorodiphenylmethyl)benzene Synonym
- (Chloromethanetriyl)tribenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.78 g/mol | CAS Common Chemistry |
| 278.782 g/mol | RDKit | |
| 278.779 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylmethyl_chloride | CAS Common Chemistry |
| Canonical SMILES | ClC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H15Cl/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=JBWKIWSBJXDJDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113-114 °C | CAS Common Chemistry |
| Name | Trityl chloride | 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 | 5.217300000000003 | RDKit |
| 5.2173 | RDKit | |
| Molar Refractivity | 85.06100000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 278.08622816 g/mol | RDKit |
| Boiling Point | 310 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 278.78 g/mol. Edit any field — others recompute live.
