Methyl 3,5-dichloro-4-hydroxybenzoate supplier

Name
METHYL 3,5-DICHLORO-4-HYDROXYBENZOATE
EINECS 222-074-5
CAS No. 3337-59-5
Article Data7
CAS DataBase
Density 1.477 g/cm³
Solubility
Melting Point 122-125 °C
Formula C₈H₆Cl₂O₃
Boiling Point 302.7 °C at 760 mmHg
Molecular Weight 221.04
Flash Point 136.9 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38; R20/21/22; R10
Molecular Structure
Hazard Symbols Xi,Xn,F
Synonyms 3,5-Dichloro-4-hydroxybenzoicacid methyl ester;Methyl 4-hydroxy-3,5-dichlorobenzoate;
PSA 46.53000
LogP 2.48560

Methyl 3,5-dichloro-4-hydroxybenzoate Specification

The Methyl 3,5-dichloro-4-hydroxybenzoate, with CAS registry number 3337-59-5, belongs to the following product categories: (1)Aromatic Esters; (2)Phenylacetic acid; (3)Acids & Esters; (4)Chlorine Compounds; (5)Phenols. It has the systematic name of methyl 3,5-dichloro-4-hydroxybenzoate. And the chemical formula of this chemical is C₈H₆Cl₂O₃. What's more, its EINECS is 222-074-5.

Physical properties of Methyl 3,5-dichloro-4-hydroxybenzoate: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 62.33; (6)ACD/BCF (pH 7.4): 1.53; (7)ACD/KOC (pH 5.5): 537.09; (8)ACD/KOC (pH 7.4): 13.16; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 49.69 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 19.7×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.476 g/cm³; (19)Flash Point: 136.9 °C; (20)Enthalpy of Vaporization: 56.46 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000544 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1O)C(=O)OC
(2)InChI: InChI=1/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
(3)InChIKey: UKMOOQFHBGTLAO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
(5)Std. InChIKey: UKMOOQFHBGTLAO-UHFFFAOYSA-N

Product Name

METHYL 3,5-DICHLORO-4-HYDROXYBENZOATE

Methyl 3,5-dichloro-4-hydroxybenzoate Specification

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