3,5-Difluoro-4-methoxybenzoic acid supplier

Name
3,5-Difluoro-4-methoxybenzoic acid
EINECS
CAS No. 319-60-8
Density 1.399 g/cm³
Solubility
Melting Point 164-166°C
Formula C₈H₆F₂O₃
Boiling Point 286.4 °C at 760 mmHg
Molecular Weight 188.131
Flash Point 127 °C
Transport Information
Appearance
Safety 45-37-26
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Difluoro-4-methoxybenzoic acid;p-Anisicacid, 3,5-difluoro- (8CI);3,5-difluoro-4-methoxybenzoic acid;3,5-Difluoro-p-anisic acid;Benzoic acid, 3,5-difluoro-4-methoxy-;
PSA 46.53000
LogP 1.67160

3,5-Difluoro-4-methoxybenzoic acid Specification

The 3,5-Difluoro-4-methoxybenzoic acid, with the CAS registry number 319-60-8, has the systematic name and IUPAC name of 3,5-difluoro-4-methoxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₈H₆F₂O₃.

The characteristics of 3,5-Difluoro-4-methoxybenzoic acid are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 39.84 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 15.79×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 127 °C; (20)Enthalpy of Vaporization: 55.5 kJ/mol; (21)Boiling Point: 286.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00123 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(cc(F)c1OC)C(=O)O
(2)InChI: InChI=1/C8H6F2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: YOWQTTYAQQPSHM-UHFFFAOYAZ

Product Name

3,5-Difluoro-4-methoxybenzoic acid

3,5-Difluoro-4-methoxybenzoic acid Specification

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