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1,2-Naphthoquinonediazide-5-Sulfonyl Chloride
CAS: 3770-97-6 | C10H5ClN2O3S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3770-97-6
Molecular Formula:
C10H5ClN2O3S
Molecular Mass:
268.68 g/mol
Names and Synonyms:
1,2-Naphthoquinonediazide-5-Sulfonyl Chloride
1-Naphthalenesulfonyl chloride, 6-diazo-5,6-dihydro-5-oxo-
6-Diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonyl chloride
2-Diazo-1-naphthol-5-sulfonyl chloride
2-Diazo-1(2H)-naphthalenone-5-sulfonyl chloride
1,2-Naphthoquinone-2-diazide-5-sulfonyl chloride
6-Diazo-5-hydroxy-1-naphthalenesulfonyl chloride
2-Diazo-1-oxonaphthalene-5-sulfonyl chloride
2-Diazo-1,2-dihydro-1-oxonaphthalene-5-sulfonyl chloride
5-(Chlorosulfonyl)-1,2-naphthoquinone-2-diazide
2-Diazo-1-naphtho-5-sulfonyl chloride
2-Diazo-1,2-naphthoquinone-5-sulfonyl chloride
2-Diazo-1-oxo-1,2-dihydronaphthalene-5-sulfonyl chloride
1,2-Naphthoquinonediazido-5-sulfonyl chloride
6-Diazo-5-oxo-1-naphthalenesulfonyl chloride
3-Diazo-4-oxo-1-naphthalenesulfonyl chloride
1-Oxo-2-diazonaphthoquinone-5-sulfonyl chloride
1-Oxo-1,2-dihydro-2-diazonaphthalene-5-sulfonyl chloride
1,2-Naphthoquinonediazide-5-sulfonyl chloride
o-Naphthoquinonediazide-5-sulfonyl chloride
1,2-Naphthoquinone-2-diazido-5-sulfonyl chloride
NAC 5
5-Naphthoquinonediazidesulfonyl chloride
2-Diazo-1,2-dihydro-1-oxonaphthalene-5-sulphonyl chloride
Identifiers:
SMILES:
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)C1=O
InChI:
InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-3-1-2-7-6(9)4-5-8(13-12)10(7)14/h1-5H
Key Properties
Melting Point
139 °C (decomp)
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 | 268.68 g/mol | CAS Common Chemistry |
| 268.681 g/mol | RDKit | |
| 267.9709407 g/mol | RDKit | |
| Canonical SMILES | [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)Cl)C1=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-3-1-2-7-6(9)4-5-8(13-12)10(7)14/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=DZQQBMOSBPOYFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 139 °C (decomp) | CAS Common Chemistry |
| Name | 1,2-Naphthoquinonediazide-5-sulfonyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 87.61000000000001 Ų | RDKit |
| LogP | 1.4944000000000002 | RDKit |
| Molar Refractivity | 61.47170000000002 | RDKit |
