CAS No.671-35-2,4-Hydroxy-5-fluorpyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	671-35-2
Name:	4-Hydroxy-5-fluorpyrimidine

Formula:	C₄H₃FN₂O
Molecular Weight:	114.079
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;
Density:	1.453 g/cm³
Melting Point:	204-205 °C(Solv: water (7732-18-5))
Boiling Point:	203.752 °C at 760 mmHg
Flash Point:	77.027 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.01000
LogP:	0.32130

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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.