3,5-Dichloro-4-methoxybenzoic acid supplier

Name
3,5-Dichloro-4-methoxybenzoic acid
EINECS
CAS No. 41727-58-6
Article Data7
CAS DataBase
Density 1.474 g/cm³
Solubility
Melting Point 199-200 °C
Formula C₈H₆Cl₂O₃
Boiling Point 328.9 °C at 760 mmHg
Molecular Weight 205.04
Flash Point 152.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Dichloro-4-methoxybenzaldehyde;
PSA 46.53000
LogP 2.70020

3,5-Dichloro-4-methoxybenzoic acid Specification

The 3,5-Dichloro-4-methoxybenzoic acid is an organic compound with the formula C₈H₆Cl₂O₃. The systematic name of this chemical is 3,5-dichloro-4-methoxybenzoic acid. With the CAS registry number 41727-58-6, it is also named as 3,5-dichloro-4-methoxybenzenecarboxylic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties about 3,5-Dichloro-4-methoxybenzoic acid are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 9.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 54.09; (7)ACD/KOC (pH 7.4): 2.86; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 49.65 cm³; (14)Molar Volume: 149.8 cm³; (15)Polarizability: 19.68×10^-24cm³; (16)Surface Tension: 49.6 dyne/cm; (17)Density: 1.474 g/cm³; (18)Flash Point: 152.7 °C; (19)Enthalpy of Vaporization: 60.31 kJ/mol; (20)Boiling Point: 328.9 °C at 760 mmHg; (21)Vapour Pressure: 7.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1OC)C(=O)O
(2)InChI: InChI=1/C8H6Cl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)
(3)InChIKey: XSYZTYQXKIXPRC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H6Cl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3,(H,11,12)
(5)Std. InChIKey: XSYZTYQXKIXPRC-UHFFFAOYSA-N

Product Name

3,5-Dichloro-4-methoxybenzoic acid

3,5-Dichloro-4-methoxybenzoic acid Specification

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