4,5-Difluoro-2-methylbenzoic acid supplier

Name
4,5-DIFLUORO-2-METHYLBENZOIC ACID
EINECS
CAS No. 183237-86-7
Density 1.359 g/cm³
Solubility
Melting Point 119-121°C
Formula C₈H₆F₂O₂
Boiling Point 268.9 °C at 760 mmHg
Molecular Weight 172.131
Flash Point 116.4 °C
Transport Information
Appearance powder
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3,4-Difluoro-6-methylbenzoicacid;
PSA 37.30000
LogP 1.97140

4,5-Difluoro-2-methylbenzoic acid Specification

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

Product Name

4,5-DIFLUORO-2-METHYLBENZOIC ACID

4,5-Difluoro-2-methylbenzoic acid Specification

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