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Cas Database |
| Name |
3-Nitro-1,2-benzenediol |
EINECS | N/A |
| CAS No. | 6665-98-1 | Density | 1.58g/cm3 |
| PSA | 86.28000 | LogP | 1.52920 |
| Solubility | 14.88g/L(20.5 oC) | Melting Point |
N/A |
| Formula | C6H5 N O4 | Boiling Point | 268.6°C at 760 mmHg |
| Molecular Weight | 155.11 | Flash Point | 123.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyrocatechol,3-nitro- (6CI,7CI,8CI); 1,2-Dihydroxy-3-nitrobenzene;2,3-Dihydroxynitrobenzene; 2-Hydroxy-3-nitrophenol; 3-Nitro-1,2-benzenediol;3-Nitrocatechol; 3-Nitropyrocatechol; NSC 407241 |
Article Data | 34 |
3-Nitro-1,2-benzenediol Chemical Properties
Molecular Structure of 3-Nitro-1,2-benzenediol (CAS NO.6665-98-1):
IUPAC Name: 3-Nitrobenzene-1,2-diol
Canonical SMILES: C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]
InChI: InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H
InChIKey: YHKWFDPEASWKFQ-UHFFFAOYSA-N
Molecular Weight: 155.1082 [g/mol]
Molecular Formula: C6H5NO4
XLogP3: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 0
Tautomer Count: 13
Exact Mass: 155.021858
MonoIsotopic Mass: 155.021858
Topological Polar Surface Area: 86.3
Heavy Atom Count: 11
Complexity: 155
Index of Refraction: 1.667
Molar Refractivity: 36.56 cm3
Molar Volume: 98.1 cm3
Surface Tension: 79.2 dyne/cm
Density: 1.58 g/cm3
Flash Point: 123.7 °C
Enthalpy of Vaporization: 52.71 kJ/mol
Boiling Point: 268.6 °C at 760 mmHg
Vapour Pressure: 0.00461 mmHg at 25 °C
3-Nitro-1,2-benzenediol Specification
3-Nitro-1,2-benzenediol (CAS NO.6665-98-1), its Synonyms are 3-Nitro-benzene-1,2-diol ; 3-Nitrocatechol ; 1,2-Benzenediol, 3-nitro- .
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