2,4-Difluoro-3-methoxybenzoic acid supplier

Name
2,4-Difluoro-3-methoxybenzoic acid
EINECS 1533716-785-6
CAS No. 178974-97-5
Article Data5
CAS DataBase
Density 1.399 g/cm₃
Solubility Insoluble in water.
Melting Point 193-195 °C
Formula C₈H₆F₂O₃
Boiling Point 298.7 °C at 760 mmHg
Molecular Weight 188.131
Flash Point 134.5 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Difluoro-3-methoxybenzoicacid;2,4-Difluoro-m-anisic acid;benzoic acid, 2,4-difluoro-3-methoxy-;
PSA 46.53000
LogP 1.67160

2,4-Difluoro-3-methoxybenzoic acid 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

Product Name

2,4-Difluoro-3-methoxybenzoic acid

2,4-Difluoro-3-methoxybenzoic acid Specification

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