Product Name

  • Name

    3-FLUORO-2-HYDROXY-BENZOIC ACID METHYL ESTER

  • EINECS
  • CAS No. 70163-98-3
  • Article Data8
  • CAS DataBase
  • Density 1.309 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 70163-98-3 (3-FLUORO-2-HYDROXY-BENZOIC ACID METHYL ESTER)
  • Hazard Symbols
  • Synonyms 3-Fluorosalicylicacid methyl ester;Methyl 3-fluorosalicylate;
  • PSA 46.53000
  • LogP 1.31790

Benzoicacid, 3-fluoro-2-hydroxy-, methyl ester Specification

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

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