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Dansyl Chloride
CAS: 605-65-2 | C12H12ClNO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
605-65-2
Molecular Formula:
C12H12ClNO2S
Molecular Mass:
269.75 g/mol
Names and Synonyms:
Dansyl Chloride
1-Naphthalenesulfonyl chloride, 5-(dimethylamino)-
5-(Dimethylamino)-1-naphthalenesulfonyl chloride
Dansyl chloride
1-(Dimethylamino)-5-naphthalenesulfonyl chloride
DNS chloride
5-(N,N-Dimethylamino)-1-naphthalenesulfonyl chloride
DNS-Cl
NSC 83616
8-Dimethylamino-1-naphthalenesulfonyl chloride
Identifiers:
SMILES:
CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChI:
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
Key Properties
Melting Point
70 °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 | 269.75 g/mol | CAS Common Chemistry |
| 269.753 g/mol | RDKit | |
| 269.027727304 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dansyl_chloride | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(Cl)C1=CC=CC=2C1=CC=CC2N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XPDXVDYUQZHFPV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | Dansyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 2.8333000000000013 | RDKit |
| Molar Refractivity | 71.31380000000003 | RDKit |
