3-Fluoro-4-methoxyphenylacetic acid supplier

Name
3-FLUORO-4-METHOXYPHENYLACETIC ACID
EINECS 224-854-0
CAS No. 452-14-2
Article Data5
CAS DataBase
Density 1.269 g/cm³
Solubility
Melting Point 111-113°C
Formula C₉H₉FO₃
Boiling Point 309 °C at 760 mmHg
Molecular Weight 184.167
Flash Point 140.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, (3-fluoro-4-methoxyphenyl)- (8CI);(3-Fluoro-4-methoxyphenyl)acetic acid;3-Fluoro-4-methoxybenzeneacetic acid;(3-fluoro-4-methoxyphenyl)acetic acid;3-Fluoro-4-methoxyphenylacetic acid;Benzeneacetic acid, 3-fluoro-4-methoxy-;
PSA 46.53000
LogP 1.46140

3-Fluoro-4-methoxyphenylacetic acid Specification

The 2-(3-Fluoro-4-methoxyphenyl)acetic acid, with the CAS registry number 452-14-2, has the systematic name of (3-fluoro-4-methoxyphenyl)acetic acid. And the molecular formula of this chemical is C₉H₉FO₃. It belongs to the following product categories: Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid.

The physical properties of 2-(3-Fluoro-4-methoxyphenyl)acetic acid are as following: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 44.03 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.269 g/cm³; (19)Flash Point: 140.7 °C; (20)Enthalpy of Vaporization: 58.04 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 0.000284 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, 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(ccc1OC)CC(=O)O
(2)InChI: InChI=1/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: VURNBRZIFABCRU-UHFFFAOYAC

Product Name

3-FLUORO-4-METHOXYPHENYLACETIC ACID

3-Fluoro-4-methoxyphenylacetic acid Specification

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