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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 | Hazard Symbols | Xi | |
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 |
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
Safety Information of 4-Fluorophenylacetic acid (CAS No.405-50-5):
Hazard Codes: Xi
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 (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.