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1135283-08-7

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Basic Information
CAS No.: 1135283-08-7
Name: 5-Bromo-2-ethynylpyrimidine
Molecular Structure:
Molecular Structure of 1135283-08-7 (5-Bromo-2-ethynylpyrimidine)
Formula: C6H3BrN2
Molecular Weight: 183.0054
Synonyms: 5-Bromo-2-ethynylpyrimidine;(5-Bromopyrimidin-2-yl)acetylene, 5-Bromo-2-ethynyl-1,3-diazine
Density: 1.72 g/cm3
Melting Point: 127-128°
Boiling Point: 295.818 °C at 760 mmHg
Flash Point: 132.706 °C
PSA: 25.78000
LogP: 1.22040
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Specification

The 5-Bromo-2-ethynylpyrimidine is an organic compound with the formula C6H3BrN2. The IUPAC name of this chemical is 5-Bromo-2-ethynylpyrimidine. With the CAS registry number 1135283-08-7, it is also named as Pyrimidine, 5-bromo-2-ethynyl-. Besides, its molecular weight is 183.0054.

Physical properties about 5-Bromo-2-ethynylpyrimidine are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 15.524; (5)ACD/BCF (pH 7.4): 15.524; (6)ACD/KOC (pH 5.5): 247.824; (7)ACD/KOC (pH 7.4): 247.824; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 37.132 cm3; (12)Molar Volume: 106.395 cm3; (13)Polarizability: 14.72×10-24 cm3; (14)Surface Tension: 67.806 dyne/cm; (15)Density: 1.72 g/cm3; (16)Flash Point: 132.706 °C; (17)Enthalpy of Vaporization: 51.411 kJ/mol; (18)Boiling Point: 295.818 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
(2)InChIKey: ZHOLVGVOMDUCDY-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
(4)Std. InChIKey: ZHOLVGVOMDUCDY-UHFFFAOYSA-N