Products Categories
CAS No.: | 183237-86-7 |
---|---|
Name: | 4,5-DIFLUORO-2-METHYLBENZOIC ACID |
Molecular Structure: | |
Formula: | C8H6F2O2 |
Molecular Weight: | 172.131 |
Synonyms: | 3,4-Difluoro-6-methylbenzoicacid; |
Density: | 1.359 g/cm3 |
Melting Point: | 119-121°C |
Boiling Point: | 268.9 °C at 760 mmHg |
Flash Point: | 116.4 °C |
Appearance: | powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 37.30000 |
LogP: | 1.97140 |
What can I do for you?
Get Best Price
This chemical is called Benzoic acid, 4,5-difluoro-2-methyl-, and its systematic name is 4,5-difluoro-2-methylbenzoic acid. With the molecular formula of C8H6F2O2, its product categories are Fluorin-contained Benzoic Acid Series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. The CAS registry number of this chemical is 183237-86-7. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzoic acid, 4,5-difluoro-2-methyl- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.99; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 37.99 cm3; (14)Molar Volume: 126.6 cm3; (15)Polarizability: 15.06×10-24cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.359 g/cm3; (18)Flash Point: 116.4 °C; (19)Enthalpy of Vaporization: 53.55 kJ/mol; (20)Boiling Point: 268.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00371 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(C(O)=O)c(C)cc1F
2.InChI: InChI=1/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
3.InChIKey: LDMHYYGJZWDBQL-UHFFFAOYAX