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Basic Information
CAS No.: 1664-57-9
Name: 3-(3-Nitrophenyl)propionic acid
Article Data: 9
Molecular Structure:
Molecular Structure of 1664-57-9 (3-(3-Nitrophenyl)propionic acid)
Formula: C9 H9 N O4
Molecular Weight: 195.175
Synonyms: 3-(3-Nitrophenyl)propionic acid ,98%;
Density: 1.343 g/cm3
Melting Point: 110-112 ºC
Boiling Point: 379.4 ºC at 760 mmHg
Flash Point: 168.9 ºC
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 83.12000
LogP: 2.13520
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Chemistry


IUPAC Name: 3-(3-Nitrophenyl)propanoic acid
Molecular Formula: C9H9NO4
Molecular Weight: 195.17 g/mol
Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O
InChI: InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)
Product Categories: Aromatic Propionic Acids
XLogP3: 1.8
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: 223
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: 168.9 °C
Enthalpy of Vaporization: 66.19 kJ/mol
Boiling Point: 379.4 °C at 760 mmHg
Melting Point: 110-112 °C
Vapour Pressure of 3-(3-Nitrophenyl)propionic acid (CAS NO.1664-57-9): 1.97E-06 mmHg at 25 °C

Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
HazardClass of 3-(3-Nitrophenyl)propionic acid (CAS NO.1664-57-9): Corrosive

Specification

 3-(3-Nitrophenyl)propionic acid (CAS NO.1664-57-9), its Synonyms are 3-(3-Nitrophenyl)propionic acid ,98% ; 3-(3-Nitro-phenyl)-propionic acid .