Benzoic acid,3-chloro-2-hydroxy-, methyl ester supplier

Name
methyl 3-chlorosalicylate
EINECS 257-694-5
CAS No. 52159-67-8
Article Data8
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point 29-32 °C
Formula C₈H₇ClO₃
Boiling Point 238.4 °C at 760 mmHg
Molecular Weight 186.595
Flash Point 98 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-chloro-2-hydroxybenzoate;Methyl 3-chlorosalicylate;Methyl m-chlorosalicylate;
PSA 46.53000
LogP 1.83220

Benzoic acid,3-chloro-2-hydroxy-, methyl ester Specification

The Benzoic acid,3-chloro-2-hydroxy-, methyl ester, with the CAS registry number 52159-67-8, is also known as Methyl 3-chlorosalicylate. This chemical's molecular formula is C₈H₇ClO₃ and molecular weight is 186.59. What's more, its systematic name is Methyl 3-chloro-2-hydroxybenzoate and its EINECS number is 257-694-5.

Physical properties of Benzoic acid,3-chloro-2-hydroxy-, methyl ester are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 86.26; (6)ACD/BCF (pH 7.4): 76.41; (7)ACD/KOC (pH 5.5): 845.38; (8)ACD/KOC (pH 7.4): 748.9; (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: 1.564; (14)Molar Refractivity: 44.8 cm³; (15)Molar Volume: 137.7 cm³; (16)Polarizability: 17.76×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 49.45 kJ/mol; (21)Boiling Point: 238.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(C(=O)OC)c1O
(2)InChI: InChI=1S/C8H7ClO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
(3)InChIKey: MVXSDDGVZSEOIS-UHFFFAOYSA-N

Product Name

methyl 3-chlorosalicylate

Benzoic acid,3-chloro-2-hydroxy-, methyl ester Specification

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