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Desyl Chloride
CAS: 447-31-4 | C14H11ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
447-31-4
Molecular Formula:
C14H11ClO
Molecular Mass:
230.69 g/mol
Names and Synonyms:
Desyl Chloride
Ethanone, 2-chloro-1,2-diphenyl-
Acetophenone, 2-chloro-2-phenyl-
2-Chloro-1,2-diphenylethanone
Desyl chloride
2-Chloro-2-phenylacetophenone
α-Chlorobenzyl phenyl ketone
1,2-Diphenyl-2-chloroethanone
α-Chloro-α-phenylacetophenone
α-Chlorodeoxybenzoin
NSC 2883
2-Chloro-1,2-diphenylethan-1-one
Identifiers:
SMILES:
O=C(c1ccccc1)C(Cl)c1ccccc1
InChI:
InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
Key Properties
Boiling Point
150 °C @ Press: 0.02 Torr
CAS Common Chemistry
Melting Point
68.5 °C
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 | 230.69 g/mol | CAS Common Chemistry |
| 230.694 g/mol | RDKit | |
| 230.049842652 g/mol | RDKit | |
| Boiling Point | 150 °C @ Press: 0.02 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(Cl)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=RXDYOLRABMJTEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68.5 °C | CAS Common Chemistry |
| Name | Desyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.849400000000003 | RDKit |
| Molar Refractivity | 65.80850000000002 | RDKit |
