Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester |
EINECS | N/A |
CAS No. | 70163-98-3 | Density | 1.309 g/cm3 |
PSA | 46.53000 | LogP | 1.31790 |
Solubility | N/A | Melting Point |
46-47 °C |
Formula | C8H7FO3 | Boiling Point | 211.7 °C at 760 mmHg |
Molecular Weight | 170.14 | Flash Point | 81.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Fluorosalicylicacid methyl ester;Methyl 3-fluorosalicylate; |
Article Data | 8 |
The CAS register number of Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester is 70163-98-3. It also can be called as 3-Fluorosalicylicacid methyl ester and the systematic name about this chemical is methyl 3-fluoro-2-hydroxybenzoate. The molecular formula about this chemical is C8H7FO3 and the molecular weight is 170.14. It belongs to the following product categories which include Pharmacetical; Benzoic acid and so on.
Physical properties about Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester are: (1)D/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 62.19; (5)ACD/BCF (pH 7.4): 57.65; (6)ACD/KOC (pH 5.5): 669.01; (7)ACD/KOC (pH 7.4): 620.17; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 39.9 cm3; (14)Molar Volume: 129.9 cm3; (15)Polarizability: 15.81x10-24cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Enthalpy of Vaporization: 46.62 kJ/mol; (18)Boiling Point: 211.7 °C at 760 mmHg; (19)Vapour Pressure: 0.124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(C(=O)OC)c1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
(3)InChIKey: NRGQRZHYRCJTKV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
(5)Std. InChIKey: NRGQRZHYRCJTKV-UHFFFAOYSA-N