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4-Fluorophenylacetic acid

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Name

4-Fluorophenylacetic acid

EINECS 206-972-4
CAS No. 405-50-5 Density 1.272 g/cm3
PSA 37.30000 LogP 1.45280
Solubility 81-83 °C(lit.) Melting Point 81-83 °C(lit.)
Formula C8H7FO2 Boiling Point 265.3 °C at 760 mmHg
Molecular Weight 154.141 Flash Point 114.3 °C
Transport Information N/A Appearance white shiny crystalline powder or flakes
Safety 22-24/25-36/37/39-27-26 Risk Codes 38-36/37/38
Molecular Structure Molecular Structure of 405-50-5 (4-Fluorophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (p-fluorophenyl)- (7CI,8CI);(4-Fluorophenyl)acetic acid;(p-Fluorophenyl)acetic acid;2-(4-Fluorophenyl)acetic acid;Ba 2821;NSC 402;4-Fluorophenylacetic acid;

Article Data 50

4-Fluorophenylacetic acid Chemical Properties

Molecular Structure of 4-Fluorophenylacetic acid (CAS No.405-50-5):
 
Molecular Formula: C8H7FO2
Molecular Weight: 154.138383
IUPAC Name: 2-(4-Fluorophenyl)acetic acid 
CAS No: 405-50-5
EINECS: 206-972-4
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.529
Molar Refractivity: 37.36 cm3
Molar Volume: 121 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.272 g/cm3
Flash Point: 114.3 °C
Melting Point: 82-86 ºC
Water Solubility: 8570 mg/L(25ºC)
Enthalpy of Vaporization: 53.17 kJ/mol
Boiling Point: 265.3 °C at 760 mmHg
Vapour Pressure: 0.00461 mmHg at 25°C
Product Categories: Phenylacetic acid series;Aromatic Phenylacetic Acids and Derivatives;Fluorobenzene;API intermediates;Carboxylic Acids;Phenyls Phenyl-Het;C8;Carbonyl Compounds
Canonical SMILES: C1=CC(=CC=C1CC(=O)O)F
InChI: InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N

4-Fluorophenylacetic acid Safety Profile

Safety Information of 4-Fluorophenylacetic acid (CAS No.405-50-5):
Hazard Codes: IrritantXi
Risk Statements: 38-36/37/38
R38:Irritating to skin. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36/37/39-27-26
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S27:Take off immediately all contaminated clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT
HS Code: 29163900

4-Fluorophenylacetic acid Specification

  4-Fluorophenylacetic acid (CAS No.405-50-5), it also can be called p-Fluorophenylacetic acid ; (4-Fluorophenyl)acetic acid ;Benzeneacetic acid, 4-fluoro- ;(4-Fluoro-phenyl)-acetic acid ; 2-(4-Fluorophenyl)Acetic Acid ; 4-Fluorophenylacetic acid 98% .It is white shiny crystalline powder or flakes.

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