CAS No.105184-38-1,3,5-Difluorophenylacetic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	105184-38-1
Name:	3,5-Difluorophenylacetic acid
Article Data:	4

Formula:	C₈H₆F₂O₂
Molecular Weight:	172.131
Synonyms:	2-(3,5-Difluorophenyl)aceticacid;3,5-Difluorobenzeneacetic acid;
EINECS:	-0
Density:	1.373 g/cm³
Melting Point:	68-70 °C
Boiling Point:	245 °C at 760 mmHg
Flash Point:	102 °C
Appearance:	white solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-26-36/37/39
PSA:	37.30000
LogP:	1.59190

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Specification

The CAS registry number of 3,5-Difluorophenylacetic acid is 105184-38-1. The IUPAC name is 2-(3,5-difluorophenyl)acetic acid. In addition, the molecular formula is C₈H₆F₂O₂. What's more, it is a kind of light yellow crystalline powder and belongs to the classes of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic Acid; Miscellaneous. Besides, it is mainly used as intermediates of medicine, pesticide and materials of liquid crystal.

Physical properties about this chemical are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 0.03; (3)ACD/LogD (pH 7.4): -1.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.57; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 37.35 cm³; (14)Molar Volume: 125.2 cm³; (15)Polarizability: 14.8 ×10^-24cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.373 g/cm³; (18)Flash Point: 102 °C; (19)Enthalpy of Vaporization: 50.94 kJ/mol; (20)Boiling Point: 245 °C at 760 mmHg; (21)Vapour Pressure: 0.0157 mmHg at 25°C.

Preparation of 3,5-Difluorophenylacetic acid: it can be prepared by ethyl cyano(3,5-difluorophenyl)acetate. This reaction will need reagent aq. NaOH. The reaction time is 18 hours at reaction temperature of 95-100 °C. The yield is about 99%.

Uses of 3,5-Difluorophenylacetic acid: it can react with ethanol to get ethyl (3,5-difluorophenyl)acetate. This reaction will need reagent H₂SO₄ and solvent ethanol. The reaction time is 6 hours with ambient temperature. The yield is about 96.7%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. You should not breathe dust. In case of contact 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(cc(F)c1)CC(=O)O
(2)InChI: InChI=1/C8H6F2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: IGGNSAVLXJKCNH-UHFFFAOYAY