Product Name

  • Name

    5-Amino-2-fluorobenzioc acid

  • EINECS
  • CAS No. 56741-33-4
  • Article Data6
  • CAS DataBase
  • Density 1.43 g/cm3
  • Solubility
  • Melting Point 190 °C
  • Formula C7H6FNO2
  • Boiling Point 351.3 °C at 760 mmHg
  • Molecular Weight 155.129
  • Flash Point 166.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 56741-33-4 (5-Amino-2-fluorobenzioc acid)
  • Hazard Symbols IrritantXi
  • Synonyms 3-Amino-6-fluorobenzoicacid;
  • PSA 63.32000
  • LogP 1.68730

5-Amino-2-fluorobenzioc acid Specification

This chemical is called Benzoicacid, 5-amino-2-fluoro-, and its systematic name is 5-amino-2-fluorobenzoic acid. With the molecular formula of C7H6FNO2, its poduct categories are Fluorin-contained Benzoic Acid Series; Fluorobenzene; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. The CAS registry number of this chemical is 56741-33-4. In addition, this chemical should be sealed in the cool and dry place.  

Other characteristics of the Benzoicacid, 5-amino-2-fluoro- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 37.41 cm3; (15)Molar Volume: 108.4 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 166.3 °C; (20)Enthalpy of Vaporization: 62.9 kJ/mol; (21)Boiling Point: 351.3 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C(=O)O)cc(N)cc1
2.InChI: InChI=1/C7H6FNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
3.InChIKey: WYGAIOJWQDRBRJ-UHFFFAOYAL

 

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