- 3-(4-Nitrophenyl)propanoic acid
- 3-(4-Nitrophenyl)propanoic acid
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Cas Database |
| Name |
3-(4-Nitrophenyl)propanoic acid |
EINECS | 672-244-1 |
| CAS No. | 16642-79-8 | Density | 1.343 g/cm3 |
| PSA | 83.12000 | LogP | 2.13520 |
| Solubility | Slightly soluble in water. | Melting Point |
167-170 °C |
| Formula | C9H9NO4 | Boiling Point | 382.7 °C at 760 mmHg |
| Molecular Weight | 195.175 | Flash Point | 170.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 22-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Hydrocinnamicacid, p-nitro- (6CI,7CI,8CI);3-(p-Nitrophenyl)propionic acid;4-Nitrobenzenepropanoic acid;4-Nitrohydrocinnamic acid;p-Nitrohydrocinnamic acid;b-(4-Nitrophenyl)propionic acid; |
Article Data | 30 |
3-(4-Nitrophenyl)propanoic acid Chemical Properties
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IUPAC Name: 3-(4-Nitrophenyl)propanoic acid
Molecular Formula: C9H9NO4
Molecular Weight: 195.17 g/mol
Canonical SMILES: [N+](c1ccc(cc1)CCC(=O)O)([O-])=O
InChI: InChI=1/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)
Product Categories: Aromatic Propionic Acids; Organic acids; API intermediates
XLogP3: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 195.053158
MonoIsotopic Mass: 195.053158
Topological Polar Surface Area: 80.4
Heavy Atom Count: 14
Complexity: 215
Index of Refraction: 1.583
Molar Refractivity: 48.54 cm3
Molar Volume: 145.2 cm3
Polarizability: 19.24×10-24 cm3
Surface Tension: 58 dyne/cm
Density: 1.343 g/cm3
Flash Point: 170.5 °C
Enthalpy of Vaporization: 66.58 kJ/mol
Boiling Point: 382.7 °C at 760 mmHg
Melting Point: 167-170 °C
Vapour Pressure of 3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8): 1.53E-06 mmHg at 25 °C
3-(4-Nitrophenyl)propanoic acid Safety Profile
Hazard Note of 3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8): Harmful
3-(4-Nitrophenyl)propanoic acid Specification
3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8), its Synonyms are 4-Nitrobenzenepropanoic acid ; 3-(4-Nitrophenyl)propionic acid, 98.26+% ; 3-(4-Nitrophenyl)propionic .
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