Products Categories
CAS No.: | 1003709-96-3 |
---|---|
Name: | 2,3-Difluoro-5-Methylbenzoic Acid |
Molecular Structure: | |
Formula: | C8H6F2O2 |
Molecular Weight: | 172.13 |
Synonyms: | 2,3-Difluoro-5-methylbenzoicacid; |
Density: | 1.359 g/cm3 |
Boiling Point: | 263.776 °C at 760 mmHg |
Flash Point: | 113.328 °C |
PSA: | 37.30000 |
LogP: | 1.97140 |
What can I do for you?
Get Best Price
The 2,3-Difluoro-5-methylbenzoic acid, with the CAS registry number 1003709-96-3, is also known as Benzoic acid, 2,3-difluoro-5-methyl-. It belongs to the product category of Fluorin-contained Benzoic acid series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C8H6F2O2 and molecular weight is 172.13. What's more, its systematic name is 2,3-Difluoro-5-methylbenzoic acid.
Physical properties of 2,3-Difluoro-5-methylbenzoic acid are: (1)ACD/LogP: 2.495; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.10; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 37.995 cm3; (15)Molar Volume: 126.658 cm3; (16)Polarizability: 15.063×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 113.328 °C; (20)Enthalpy of Vaporization: 52.995 kJ/mol; (21)Boiling Point: 263.776 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(c(c1)F)F)C(=O)O
(2)Std. InChI: InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H,11,12)
(3)Std. InChIKey: PJDCKKOTZDVVOV-UHFFFAOYSA-N