Product Name

  • Name

    4-FLUOROBENZAMIDOXIME 98

  • EINECS
  • CAS No. 69113-32-2
  • Article Data18
  • CAS DataBase
  • Density 1.303 g/cm3
  • Solubility
  • Melting Point 92-95 °C(lit.)
  • Formula C9H18N2
  • Boiling Point 299.815 °C at 760 mmHg
  • Molecular Weight 154.144
  • Flash Point 135.124 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 69113-32-2 (4-FLUOROBENZAMIDOXIME 98)
  • Hazard Symbols IrritantXi
  • Synonyms Benzenecarboximidamide,4-fluoro-N'-hydroxy-, (Z)- (9CI);p-Fluorobenzamidoxime;4-Fluoro-N'-hydroxybenzenecarboximidamide;4-Fluoro-N-hydroxy-benzamidine;4-Fluoro-benzamide oxime;
  • PSA 56.11000
  • LogP 1.62050

4-Fluorobenzamidoxime Specification

The 4-Fluorobenzamidoxime, with the CAS registry number 69113-32-2, is also known as 4-Fluoro-N-hydroxy-benzamidine. This chemical's molecular formula is C9H18N2 and formula weight is 154.14. What's more, its IUPAC name is 4-fluoro-N'-hydroxybenzenecarboximidamide. It is irritant.

Physical properties of 4-Fluorobenzamidoxime are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.221; (4)ACD/LogD (pH 7.4): 1.252; (5)ACD/BCF (pH 5.5): 4.907; (6)ACD/BCF (pH 7.4): 5.263; (7)ACD/KOC (pH 5.5): 106.489; (8)ACD/KOC (pH 7.4): 114.226; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.61 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 37.944 cm3; (15)Molar Volume: 118.283 cm3; (16)Surface Tension: 42.822 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 135.124 °C; (19)Enthalpy of Vaporization: 57.006 kJ/mol; (20)Boiling Point: 299.815 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=NO)N)F
(2)Isomeric SMILES: C1=CC(=CC=C1/C(=N/O)/N)F
(3)InChI: InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
(4)InChIKey: OSUPWUQRPLIJKX-UHFFFAOYSA-N

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