3-(4-Fluorobenzoyl)propionic acid

IUPAC Name: 4-(4-Fluorophenyl)-4-oxobutanoic acid
Synonyms of 3-(4-Fluorobenzoyl)propionic acid (CAS NO.366-77-8): beta-(4-Fluorobenzoyl)propionic acid ; Benzenebutanoic acid, 4-fluoro-gamma-oxo-
CAS NO: 366-77-8
Molecular Formula: C₁₀H₉FO₃
Molecular Weight: 196.17
Molecular Structure:
EINECS: 206-679-1 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 43.37 Å²
Index of Refraction: 1.528
Molar Refractivity: 47.1 cm³
Molar Volume: 152.8 cm³
Surface Tension: 47.3 dyne/cm
Density: 1.283 g/cm³
Flash Point: 180.3 °C
Enthalpy of Vaporization: 65.6 kJ/mol
Boiling Point: 374.4 °C at 760 mmHg
Vapour Pressure: 2.85E-06 mmHg at 25°C
Melting point: 100-102 °C 
Appearance: beige granular powder
SMILES: O=C(c1ccc(F)cc1)CCC(=O)O
InChI: InChI=1/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey: WUYWHIAAQYQKPP-UHFFFAOYAG
Std. InChI: InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
Std. InChIKey: WUYWHIAAQYQKPP-UHFFFAOYSA-N
Product Categories of 3-(4-Fluorobenzoyl)propionic acid (CAS NO.366-77-8): Aromatic Propionic Acids;Acids & Esters;Fluorine Compounds;Aromatic Building Blocks

Safety Information about 3-(4-Fluorobenzoyl)propionic acid (CAS NO.366-77-8):
Hazard Codes: Xn,Xi C
Risk Statements: 36/37/38-20/21/22
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-26-22
S22: Do not breathe dust. 
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.
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: IRRITANT

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container.