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Name |
Benzoic acid,3-chloro-2-hydroxy-, methyl ester |
EINECS | 257-694-5 |
CAS No. | 52159-67-8 | Density | 1.354 g/cm3 |
PSA | 46.53000 | LogP | 1.83220 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 3-chloro-2-hydroxybenzoate;Methyl 3-chlorosalicylate;Methyl m-chlorosalicylate; |
Article Data | 8 |
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: 17.76×10-24 cm3; (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