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17043-94-6

Basic Information
CAS No.: 17043-94-6
Name: PYRIMIDINE N-OXIDE, 97%
Article Data: 14
Molecular Structure:
Molecular Structure of 17043-94-6 (PYRIMIDINE N-OXIDE, 97%)
Formula: C4H4N2O
Molecular Weight: 96.0886
Synonyms: PYRIMIDINE N-OXIDE, 97%;Pyrimidine, 1-oxide (6CI,7CI,8CI,9CI);Pyrimidine-1-oxide
Density: 1.19 g/cm3
Melting Point: 90-94 °C
Boiling Point: 241.6 °C at 760 mmHg
Flash Point: 99.9 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36
Safety: 26
Transport Information: UN 3335
PSA: 38.35000
LogP: 0.51010
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  • PYRIMIDINE 1-OXIDE  CAS NO.17043-94-6

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Specification

The Pyrimidine N-oxide, with the CAS registry number 17043-94-6, belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H4N2O and molecular weight is 96.08736. Its systematic name is called pyrimidine 1-oxide.

Physical properties of Pyrimidine N-oxide: (1)ACD/LogP: -1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -1.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.23; (8)ACD/KOC (pH 7.4): 2.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 26.28 cm3; (14)Molar Volume: 80.7 cm3; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 99.9 °C; (18)Enthalpy of Vaporization: 45.91 kJ/mol; (19)Boiling Point: 241.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0553 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1cccnc1
(2)InChI: InChI=1/C4H4N2O/c7-6-3-1-2-5-4-6/h1-4H
(3)InChIKey: OQZGLXOADHKTDN-UHFFFAOYAP