3-(3-Fluorophenyl)propionic acid supplier

Name
3-(3-FLUOROPHENYL)PROPIONIC ACID
EINECS
CAS No. 458-45-7
Article Data15
CAS DataBase
Density 1.222 g/cm³
Solubility
Melting Point 43-47 °C(lit.)
Formula C₉H₉FO₂
Boiling Point 270.6 °C at 760 mmHg
Molecular Weight 168.168
Flash Point 117.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn; C
Synonyms Hydrocinnamicacid, m-fluoro- (8CI);3-(3-Fluorophenyl)propanoic acid;m-Fluorohydrocinnamic acid;3-(3-fluorophenyl)propanoic acid;Benzenepropanoic acid, 3-fluoro-;
PSA 37.30000
LogP 1.84290

3-(3-Fluorophenyl)propionic acid Specification

The 3-(3-Fluorophenyl)propionic acid, with the CAS registry number 458-45-7, has the systematic name of 3-(3-fluorophenyl)propanoic acid. It belongs to the product category of Aromatic Propionic Acids. And the molecular formula of this chemical is C₉H₉FO₂.

The physical properties of 3-(3-Fluorophenyl)propionic acid are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.84; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 41.99 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 16.64×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 117.4 °C; (20)Enthalpy of Vaporization: 53.74 kJ/mol; (21)Boiling Point: 270.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00334 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes and respiratory system, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CCC(=O)O
(2)InChI: InChI=1/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
(3)InChIKey: UBLMRADOKLXLCD-UHFFFAOYAD

Product Name

3-(3-FLUOROPHENYL)PROPIONIC ACID

3-(3-Fluorophenyl)propionic acid Specification

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