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Molecule
Chloro[4-[2-(2-Hydroxy-1-Naphthalenyl)Diazenyl]Phenyl]Mercury
CAS: 3076-91-3 · C16H11ClHgN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3076-91-3
- Molecular Formula
- C16H11ClHgN2O
- Molecular Mass
- 483.3200000000002 g/mol
Identifiers
CAS Registry Number
3076-91-3
SMILES
Cl.[Hg+].[O-]c1ccc2ccccc2c1N=NC1=CC=C=C[CH]1
InChI Key
CDEIGFNQWMSEKG-UHFFFAOYSA-M
InChI
InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1
Names and Synonyms
- Chloro[4-[2-(2-Hydroxy-1-Naphthalenyl)Diazenyl]Phenyl]Mercury Synonym
- Mercury, chloro[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]- Synonym
- Mercury, chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]- Synonym
- Mercury, chloro[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]- Synonym
- 2-Naphthol, 1-[[p-(chloromercuri)phenyl]azo]- Synonym
- 2-Naphthalenol, 1-(phenylazo)-, mercury complex Synonym
- Chloro[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]mercury Synonym
- 1-(4-Chloromercuriphenylazo)-2-naphthol Synonym
- Mercury Orange Synonym
- Red Sulfhydryl Reagent Synonym
- 1-(4-Chloromercuriphenylazo)-β-naphthol Synonym
- NSC 105538 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | Cl[Hg]C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CDEIGFNQWMSEKG-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 291.5-293 °C | CAS Common Chemistry |
| Name | Chloro[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]mercury | CAS Common Chemistry |
| Molecular Mass | 483.3200000000002 g/mol | RDKit |
| 484.02663365200004 g/mol | RDKit | |
| 483.32 g/mol | RDKit | |
| 485.335 g/mol | chempirical lib | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.78 Ų | RDKit |
| LogP | 4.229490000000002 | RDKit |
| 4.2295 | RDKit | |
| Molar Refractivity | 80.194 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 483.32 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 483.32 g/mol. Edit any field — others recompute live.
