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Tosyl Azide
CAS: 941-55-9 | C7H7N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
941-55-9
Molecular Formula:
C7H7N3O2S
Molecular Mass:
197.22 g/mol
Names and Synonyms:
Tosyl Azide
Benzenesulfonyl azide, 4-methyl-
p-Toluenesulfonyl azide
4-Methylbenzenesulfonyl azide
p-Toluenesulfonazide
Tosyl azide
Tosyl nitride
p-Tolylsulfonyl azide
p-Methylphenylsulfonyl azide
p-Toluenesulfonic acid azide
Azido-p-toluenesulfonic acid
4-Toluenesulfonyl azide
p-Tosyl azide
4-Methylphenylsulfonyl azide
NSC 138649
p-Methylbenzenesulfonyl azide
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChI:
InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
Key Properties
Melting Point
22 °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 | 197.22 g/mol | CAS Common Chemistry |
| 197.21900000000002 g/mol | RDKit | |
| 197.025897464 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tosyl_azide | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=NS(=O)(=O)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDLIRBZKZSDGSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22 °C | CAS Common Chemistry |
| Name | Tosyl azide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 82.9 Ų | RDKit |
| LogP | 1.9940200000000001 | RDKit |
| Molar Refractivity | 47.51080000000002 | RDKit |
