Name: 4-FLUOROBENZAMIDOXIME 98
SKU: 69113-32-2

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Basic Information

Molecular Structure:
CAS No.:	69113-32-2
Name:	4-FLUOROBENZAMIDOXIME 98
Article Data:	18

Formula:	C₉H₁₈N₂
Molecular Weight:	154.144
Synonyms:	Benzenecarboximidamide,4-fluoro-N'-hydroxy-, (Z)- (9CI);p-Fluorobenzamidoxime;4-Fluoro-N'-hydroxybenzenecarboximidamide;4-Fluoro-N-hydroxy-benzamidine;4-Fluoro-benzamide oxime;
Density:	1.303 g/cm³
Melting Point:	92-95 °C(lit.)
Boiling Point:	299.815 °C at 760 mmHg
Flash Point:	135.124 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	56.11000
LogP:	1.62050

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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 C₉H₁₈N₂and 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