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1,2-Naphthoquinonediazide-4-Sulfonyl Chloride
CAS: 36451-09-9 | C10H5ClN2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36451-09-9
Molecular Formula:
C10H5ClN2O3S
Molecular Mass:
268.68 g/mol
Names and Synonyms:
1,2-Naphthoquinonediazide-4-Sulfonyl Chloride
1-Naphthalenesulfonyl chloride, 3-diazo-3,4-dihydro-4-oxo-
3-Diazo-3,4-dihydro-4-oxo-1-naphthalenesulfonyl chloride
1,2-Naphthoquinone-2-diazide-4-sulfonyl chloride
2-Diazo-1,2-dihydro-1-oxo-4-naphthalenesulfonyl chloride
1,2-Naphthoquinonediazido-4-sulfonyl chloride
1,2-Naphthoquinonediazide-4-sulfonyl chloride
1,2-Naphthoquinonediazide-4-sulfonic acid chloride
1,2-Naphthoquinone-2-diazido-4-sulfonyl chloride
4-Naphthoquinonediazidesulfonyl chloride
NAC 4
Identifiers:
SMILES:
[N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2C1=O
InChI:
InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-5-8(13-12)10(14)7-4-2-1-3-6(7)9/h1-5H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 |
| 268.68100000000004 g/mol | RDKit | |
| 267.9709407 g/mol | RDKit | |
| Canonical SMILES | [N-]=[N+]=C1C=C(C=2C=CC=CC2C1=O)S(=O)(=O)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-5-8(13-12)10(14)7-4-2-1-3-6(7)9/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=HAGVXVSNIARVIZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Naphthoquinonediazide-4-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 | 1.4632000000000003 | RDKit |
| Molar Refractivity | 62.14870000000002 | RDKit |
