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

4-(Difluoromethyl)benzoic acid

Related Products

Hot Products

Name

4-(Difluoromethyl)benzoic acid

EINECS N/A
CAS No. 55805-21-5 Density 1.324 g/cm3
PSA 37.30000 LogP 2.32240
Solubility N/A Melting Point 203-205 °C
Formula C8H6F2O2 Boiling Point 271.6 °C at 760 mmHg
Molecular Weight 172.131 Flash Point 118.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55805-21-5 (4-(Difluoromethyl)benzoic acid) Hazard Symbols IrritantXi
Synonyms

Benzoic acid, 4-(difluoromethyl)-;

Article Data 12

4-(Difluoromethyl)benzoic acid Specification

The 4-(Difluoromethyl)benzoic acid, with the CAS registry number 55805-21-5, is also known as Benzoic acid, 4-(difluoromethyl)-. This chemical's molecular formula is C8H6F2O2 and molecular weight is 172.13. What's more, its IUPAC name and systematic name are the same which is called 4-(Difluoromethyl)benzoic acid. This chemicals may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-(Difluoromethyl)benzoic acid: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.88; (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: 37.3 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 38.42 cm3; (15)Molar Volume: 129.9 cm3; (16)Surface Tension: 38.6 dyne/cm; (17)Density: 1.324 g/cm3; (18)Flash Point: 118.1 °C; (19)Enthalpy of Vaporization: 53.86 kJ/mol; (20)Boiling Point: 271.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00312 mmHg at 25 °C; (22)Melting point: 203-205 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)c1ccc(cc1)C(O)=O
(2) InChI: InChI=1/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)
(3) InChIKey: AVYXJQFZBUXNHB-UHFFFAOYAB

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 55805-21-5