Pyrimidine, 5-ethynyl- supplier

Name
Pyrimidine, 5-ethynyl- (9CI)
EINECS
CAS No. 153286-94-3
Article Data11
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 80°C
Formula C₆H₄N₂
Boiling Point 184.5 °C at 760 mmHg
Molecular Weight 104.111
Flash Point 68.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Ethynylpyrimidine;5-Ethynyl-pyrimidine;Pyrimidine, 5-ethynyl- (9CI);
PSA 25.78000
LogP 0.45790

Pyrimidine, 5-ethynyl- Specification

This chemical is called Pyrimidine, 5-ethynyl-, and it can also be named as 5-Ethynylpyrimidine. With the molecular formula of C₆H₄N₂, its molecular weight is 104.10936. The CAS registry number of this chemical is 153286-94-3, and its product category is Pyrimidine.

Other characteristics of the Pyrimidine, 5-ethynyl- can be summarised as follows: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19.7; (5)ACD/KOC (pH 7.4): 19.7; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å²; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 29.41 cm³; (12)Molar Volume: 93.2 cm³; (13)Polarizability: 11.65×10^-24 cm³; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.11 g/cm³; (16)Flash Point: 68.5 °C; (17)Enthalpy of Vaporization: 40.35 kJ/mol; (18)Boiling Point: 184.5 °C at 760 mmHg; (19)Vapour Pressure: 0.999 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C#Cc1cncnc1
2.InChI: InChI=1/C6H4N2/c1-2-6-3-7-5-8-4-6/h1,3-5H
3.InChIKey: GFVQKBROKWSUNG-UHFFFAOYAA

Product Name

Pyrimidine, 5-ethynyl- (9CI)

Pyrimidine, 5-ethynyl- Specification

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