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Cas Database |
| Name |
4-Ethyl-3-nitrobenzoic acid |
EINECS | N/A |
| CAS No. | 103440-95-5 | Density | 1.331 g/cm3 |
| PSA | 83.12000 | LogP | 2.37860 |
| Solubility | N/A | Melting Point |
157.5-158.3 °C |
| Formula | C9H9NO4 | Boiling Point | 335.705 °C at 760 mmHg |
| Molecular Weight | 195.175 | Flash Point | 147.718 °C |
| Transport Information | N/A | Appearance | white crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
PBA |
Article Data | 17 |
4-Ethyl-3-nitrobenzoic acid Chemical Properties
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Systematic Name: 4-Ethyl-3-nitrobenzoic acid
SMILES: [O-][N+](=O)c1cc(ccc1CC)C(=O)O
InChI: InChI=1/C9H9NO4/c1-2-6-3-4-7(9(11)12)5-8(6)10(13)14/h3-5H,2H2,1H3,(H,11,12)
InChIKey: DUTYVLOGZGRKMA-UHFFFAOYAH
Empirical Formula: C9H9NO4
Molecular Weight: 195.1721
Nominal Mass: 195
Average Mass: 195.1721
Monoisotopic Mass: 195.053158
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.587
Molar Refractivity: 49.278 cm3
Molar Volume: 146.622 cm3
Surface Tension: 56.216 dyne/cm
Density: 1.331 g/cm3
Flash Point: 147.718 °C
Enthalpy of Vaporization: 61.091 kJ/mol
Boiling Point: 335.705 °C at 760 mmHg
Vapour Pressure of 4-Ethyl-3-nitrobenzoic acid (CAS NO.103440-95-5): 0 mmHg at 25 °C
4-Ethyl-3-nitrobenzoic acid Specification
4-Ethyl-3-nitrobenzoic acid (CAS NO.103440-95-5), its Synonyms are 3-Nitro-4-ethylbenzoic acid ; 4-Ethyl-3-nitrobenzoic acid, 98+% ; 3,4-4-Ethyl-3-nitrobenzoic acid ; Benzoic acid, 4-ethyl-3-nitro- .
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