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CAS No.: | 37972-24-0 |
---|---|
Name: | Pyrimidine, 2-ethynyl- (9CI) |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C6H4N2 |
Molecular Weight: | 104.111 |
Synonyms: | 2-Ethynylpyrimidine; |
Density: | 1.117 g/cm3 |
Melting Point: | 96.5°C |
Boiling Point: | 228.206 °C at 760 mmHg |
Flash Point: | 103.588 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 12.89000 |
LogP: | 1.37130 |
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The Pyrimidine, 2-ethynyl- has CAS registry number 37972-24-0. This chemical's molecular formula is C6H4N2 and molecular weight is 104.11. What's more, its systematic name is 2-Ethynylpyrimidine.
Physical properties about Pyrimidine, 2-ethynyl- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 29.411 cm3; (9)Molar Volume: 93.204 cm3; (10)Polarizability: 11.659×10-24 cm3; (11)Surface Tension: 55.372 dyne/cm; (12)Density: 1.117 g/cm3; (13)Flash Point: 103.588 °C; (14)Enthalpy of Vaporization: 44.59 kJ/mol; (15)Boiling Point: 228.206 °C at 760 mmHg; (16)Vapour Pressure: 0.112 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C#Cc1ncccn1
(2) InChI: InChI=1/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H
(3) InChIKey: BMNUHRHTDNKJII-UHFFFAOYAK