Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,5-Difluorophenylacetic acid

Related Products

Hot Products

Name

2,5-Difluorophenylacetic acid

EINECS 285-288-8
CAS No. 85068-27-5 Density 1.373 g/cm3
PSA 37.30000 LogP 1.59190
Solubility N/A Melting Point 126-128 °C(lit.)
Formula C8H6F2O2 Boiling Point 251.6 °C at 760 mmHg
Molecular Weight 172.131 Flash Point 106 °C
Transport Information N/A Appearance white crystals or crystalline flakes
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85068-27-5 (2,5-Difluorophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

(2,5-Difluorophenyl)aceticacid;

Article Data 3

2,5-Difluorophenylacetic acid Specification

The Benzeneaceticacid, 2,5-difluoro-, with the CAS registry number 85068-27-5, is also known as (2,5-Difluorophenyl)aceticacid. It belongs to the product categories of Phenylacetic acid series; Aromatic Phenylacetic Acids and Derivatives; Carboxylic Acids; Phenyls & Phenyl-Het; Miscellaneous; Carboxylic Acids; C8; Carbonyl Compounds. Its EINECS number is 285-288-8. This chemical's molecular formula is C8H6F2O2 and formula weight is 172.13. What's more, its IUPAC name is 2-(2,5-difluorophenyl)acetic acid.

Physical properties of Benzeneaceticacid, 2,5-difluoro- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.96; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 37.35 cm3; (15)Molar Volume: 125.2 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.373 g/cm3; (18)Flash Point: 108.1 °C; (19)Enthalpy of Vaporization: 52.04 kJ/mol; (20)Boiling Point: 255.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00859 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl cyano(2,5-difluorophenyl)acetate. This reaction will need reagent aq. NaOH. The reaction time is 18 hours. The reaction temperature is 95-100°C. The yield is about 93%.

Uses of Benzeneaceticacid, 2,5-difluoro-: it can be used to produce ethyl 2,5-difluorophenylacetate by heating. It will need reagent H2SO4. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You need wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you must wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)CC(=O)O)F
(2)InChI: InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: FKCRTRYQHZHXES-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 85068-27-5