Pyrimidine N-oxide supplier | CasNO.17043-94-6

Name
PYRIMIDINE N-OXIDE, 97%
EINECS
CAS No. 17043-94-6
Article Data14
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 90-94 °C
Formula C₄H₄N₂O
Boiling Point 241.6 °C at 760 mmHg
Molecular Weight 96.0886
Flash Point 99.9 °C
Transport Information UN 3335
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms PYRIMIDINE N-OXIDE, 97%;Pyrimidine, 1-oxide (6CI,7CI,8CI,9CI);Pyrimidine-1-oxide
PSA 38.35000
LogP 0.51010

Pyrimidine N-oxide 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

Product Name

PYRIMIDINE N-OXIDE, 97%

Pyrimidine N-oxide Specification

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