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| CAS No.: | 178974-97-5 |
|---|---|
| Name: | 2,4-Difluoro-3-methoxybenzoic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H6F2O3 |
| Molecular Weight: | 188.131 |
| Synonyms: | 2,4-Difluoro-3-methoxybenzoicacid;2,4-Difluoro-m-anisic acid;benzoic acid, 2,4-difluoro-3-methoxy-; |
| EINECS: | 1533716-785-6 |
| Density: | 1.399 g/cm3 |
| Melting Point: | 193-195 °C |
| Boiling Point: | 298.7 °C at 760 mmHg |
| Flash Point: | 134.5 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 46.53000 |
| LogP: | 1.67160 |
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Specification
The Benzoic acid, 2,4-difluoro-3-methoxy-, with the CAS registry number 178974-97-5, has the systematic name and IUPAC name of 2,4-difluoro-3-methoxybenzoic acid. It is a kind of irritant chemical, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. And the molecular formula of this chemical is C8H6F2O3.
The physical properties of Benzoic acid, 2,4-difluoro-3-methoxy- are as following: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.51; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 39.84 cm3; (13)Molar Volume: 134.3 cm3; (14)Polarizability: 15.79×10-24cm3; (15)Surface Tension: 41.1 dyne/cm; (16)Density: 1.399 g/cm3; (17)Flash Point: 134.5 °C; (18)Enthalpy of Vaporization: 56.88 kJ/mol; (19)Boiling Point: 298.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000557 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(c(F)c1OC)C(=O)O
(2)InChI: InChI=1/C8H6F2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
(3)InChIKey: KWLIGHXPUYUTBH-UHFFFAOYAS