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37972-24-0

Basic Information
CAS No.: 37972-24-0
Name: Pyrimidine, 2-ethynyl- (9CI)
Article Data: 12
Molecular Structure:
Molecular Structure of 37972-24-0 (Pyrimidine, 2-ethynyl- (9CI))
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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Specification

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