Product Name

  • Name

    4-Hydroxy-5-fluorpyrimidine

  • EINECS
  • CAS No. 671-35-2
  • Density 1.453 g/cm3
  • Solubility
  • Melting Point 204-205 °C(Solv: water (7732-18-5))
  • Formula C4H3FN2O
  • Boiling Point 203.752 °C at 760 mmHg
  • Molecular Weight 114.079
  • Flash Point 77.027 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 671-35-2 (4-Hydroxy-5-fluorpyrimidine)
  • Hazard Symbols IrritantXi
  • Synonyms 4(1H)-Pyrimidinone,5-fluoro- (8CI,9CI);4-Pyrimidinol, 5-fluoro- (7CI);4-Hydroxy-5-fluoropyrimidine;5-Fluoro-4-hydroxypyrimidine;5-Fluoro-4-pyrimidinol;5-Fluoropyrimidin-4(3H)-one;Fluoxidine;Fluoxydin;
  • PSA 46.01000
  • LogP 0.32130

Fluoxydine Specification

The Fluoxydine, with the CAS registry number 671-35-2, is also known as 5-Fluoropyrimidin-4-ol. It belongs to the product categories of Pyrimidine; APIs & Intermediate. This chemical's molecular formula is C4H3FN2O and molecular weight is 114.08. What's more, its systematic name is called 5-Fluoro-4(3H)-pyrimidinone. This chemical can be prepared by fluorine ethyl acetate via condensation reaction. It can be used as antineoplastic drugs. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Fluoxydine are: (1)ACD/LogP: -0.002; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 13.14; (8)ACD/KOC (pH 7.4): 5.83; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 24.311 cm3; (15)Molar Volume: 78.521 cm3; (16)Polarizability: 9.638×10-24cm3; (17)Surface Tension: 59.096 dyne/cm; (18)Density: 1.453 g/cm3; (19)Flash Point: 77.027 °C; (20)Enthalpy of Vaporization: 45.795 kJ/mol; (21)Boiling Point: 203.752 °C at 760 mmHg; (22)Vapour Pressure: 0.191 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: F\C1=C\N=C/NC1=O
(2) InChI: InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
(3) InChIKey: NBAHQCCWEKHGTD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(6), Pg. 7, 1980.
mouse LD50 intravenous 1435mg/kg (1435mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(6), Pg. 7, 1980.
mouse LD50 intravenous 1435mg/kg (1435mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(6), Pg. 7, 1980.
mouse LD50 oral 118mg/kg (118mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(6), Pg. 7, 1980.
mouse LD50 oral 118mg/kg (118mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(6), Pg. 7, 1980.
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Cesko-Slovenska Farmacie. Vol. 28, Pg. 159, 1979.
 

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