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3-(4-Fluorobenzoyl)propionic acid

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Name

3-(4-Fluorobenzoyl)propionic acid

EINECS 206-679-1
CAS No. 366-77-8 Density 1.284 g/cm3
PSA 54.37000 LogP 1.87320
Solubility Insoluble in water. Melting Point 100-102 °C
Formula C10H9FO3 Boiling Point 374.4 °C at 760 mmHg
Molecular Weight 196.178 Flash Point 180.3 °C
Transport Information N/A Appearance beige granular powder
Safety 36/37/39-26-22 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 366-77-8 (3-(4-Fluorobenzoyl)propionic acid) Hazard Symbols HarmfulXn, CorrosiveC, IrritantXi
Synonyms

Propionicacid, 3-(p-fluorobenzoyl)- (7CI,8CI);3-(4-Fluorobenzoyl)propanoic acid;

Article Data 47

3-(4-Fluorobenzoyl)propionic acid Chemical Properties

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

3-(4-Fluorobenzoyl)propionic acid Safety Profile

Safety Information about 3-(4-Fluorobenzoyl)propionic acid (CAS NO.366-77-8):
Hazard Codes: HarmfulXn,Xi CorrosiveC
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

3-(4-Fluorobenzoyl)propionic acid Specification

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.

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