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2-Ethoxy-5-fluoro-1H-pyrimidin-4-one

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Name

2-Ethoxy-5-fluoro-1H-pyrimidin-4-one

EINECS 260-029-1
CAS No. 56177-80-1 Density 1.36 g/cm3
PSA 54.98000 LogP 0.30770
Solubility 2g/L at 20℃ Melting Point 180-184 °C
Formula C6H7FN2O2 Boiling Point 269.7 °C at 760 mmHg
Molecular Weight 158.132 Flash Point 116.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 56177-80-1 (2-Ethoxy-5-fluoro-1H-pyrimidin-4-one) Hazard Symbols IrritantXi
Synonyms

4(1H)-Pyrimidinone,2-ethoxy-5-fluoro- (9CI);2-Ethoxy-5-fluoro-4(3H)-pyrimidinone;

Article Data 1

2-Ethoxy-5-fluoro-1H-pyrimidin-4-one Specification

The 2-Ethoxy-5-fluorouracil, with the CAS registry number 56177-80-1, is also known as 4(1H)-Pyrimidinone, 2-ethoxy-5-fluoro-. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Intermediatesoffinasteride; Pyrimidine; Building Blocks; Heterocyclic Building Blocks; Pyrimidines. Its EINECS registry number is 260-029-1. This chemical's molecular formula is C6H7FN2O2 and molecular weight is 158.13. Its systematic name is called 2-ethoxy-5-fluoropyrimidin-4(3H)-one. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of 2-Ethoxy-5-fluorouracil: (1)ACD/LogP: 0.14; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.63; (7)ACD/KOC (pH 7.4): 3.15; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 35.67 cm3; (13)Molar Volume: 115.7 cm3; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.36 g/cm3; (16)Flash Point: 116.9 °C; (17)Enthalpy of Vaporization: 52.83 kJ/mol; (18)Boiling Point: 269.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00432 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: F\C1=C\N=C(\OCC)NC1=O
(2)InChI: InChI=1/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
(3)InChIKey: XREDGJFKPWBNRQ-UHFFFAOYAY

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