Ethyl 4-hydroxypyrimidine-5-carboxylate supplier

Name
Ethyl 4-hydroxypyrimidine-5-carboxylate
EINECS
CAS No. 4786-52-1
Density 1.33 g/cm³
Solubility
Melting Point 185-186 °C
Formula C₇H₈N₂O₃
Boiling Point 270.6 °C at 760 mmHg
Molecular Weight 168.152
Flash Point 117.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidinecarboxylicacid, 1,4-dihydro-4-oxo-, ethyl ester (9CI);5-Pyrimidinecarboxylic acid, 4-hydroxy-,ethyl ester (6CI,7CI,8CI);5-Ethoxycarbonyl-4-hydroxypyrimidine;Ethyl3,4-dihydro-4-oxopyrimidine-5-carboxylate;Ethyl4-hydroxy-5-pyrimidinecarboxylate;NSC 69216;
PSA 72.05000
LogP -0.05340

Ethyl 4-hydroxypyrimidine-5-carboxylate Specification

The CAS register number of Ethyl 4-hydroxypyrimidine-5-carboxylate is 4786-52-1. It also can be called as 4-Hydroxy-pyrimidine-5-carboxylic acid ethyl ester and the IUPAC name about this chemical is ethyl 6-oxo-1H-pyrimidine-5-carboxylate. The molecular formula about this chemical is C₇H₈N₂O₃and molecular weight is 168.15. It belongs to the Pharmacetical.

Physical properties about Ethyl 4-hydroxypyrimidine-5-carboxylate are: (1)ACD/LogP: -1.31; (2)ACD/LogD (pH 5.5): -1.31; (3)ACD/LogD (pH 7.4): -1.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.62; (7)ACD/KOC (pH 7.4): 3.11; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 58.97Å²; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 41.26 cm³; (14)Molar Volume: 126.2 cm³; (15)Polarizability: 16.36x10^-24cm³; (16)Surface Tension: 47.9 dyne/cm; (17)Enthalpy of Vaporization: 52.92 kJ/mol; (18)Boiling Point: 270.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00409 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)\C1=C\N=C/NC1=O
(2)InChI: InChI=1/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10)
(3)InChIKey: PLMIZYMXBHSARX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10)
(5)Std. InChIKey: PLMIZYMXBHSARX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01457,

Product Name

Ethyl 4-hydroxypyrimidine-5-carboxylate

Ethyl 4-hydroxypyrimidine-5-carboxylate Specification

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