Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,5-fluoro-2-hydroxy-, methyl ester |
EINECS | N/A |
CAS No. | 391-92-4 | Density | 1.309g/cm3 |
PSA | 46.53000 | LogP | 1.31790 |
Solubility | N/A | Melting Point |
30-34°C |
Formula | C8H7FO3 | Boiling Point | 239.1 °C at 760 mmHg |
Molecular Weight | 294.71 | Flash Point | 98.4 °C |
Transport Information | N/A | Appearance | Pale yellow low melting solid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Salicylicacid, 5-fluoro-, methyl ester (7CI,8CI);Methyl 5-fluoro-2-hydroxybenzoate;Methyl 5-fluorosalicylate; |
Article Data | 22 |
The Benzoic acid,5-fluoro-2-hydroxy-, methyl ester, with CAS registry number 391-92-4, belongs to the following product categories: (1)Benzoic acid; (2)C8 to C9; (3)Carbonyl Compounds; (4)Esters. It has the systematic name of methyl 5-fluoro-2-hydroxybenzoate. This chemical is a kind of pale yellow low melting solid. And the chemical formula of this chemical is C8H7FO3.
Physical properties of Benzoic acid,5-fluoro-2-hydroxy-, methyl ester: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.14; (6)ACD/BCF (pH 7.4): 68.85; (7)ACD/KOC (pH 5.5): 721.92; (8)ACD/KOC (pH 7.4): 718.86; (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: 1.526; (14)Molar Refractivity: 39.9 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 15.81×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.309 g/cm3; (19)Flash Point: 98.4 °C; (20)Enthalpy of Vaporization: 49.53 kJ/mol; (21)Boiling Point: 239.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0265 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,5-fluoro-2-hydroxy-, methyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(F)ccc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(3)InChIKey: DGHBWVVOJLVMFF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
(5)Std. InChIKey: DGHBWVVOJLVMFF-UHFFFAOYSA-N