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71637-37-1

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Basic Information
CAS No.: 71637-37-1
Name: (5-BROMO-THIOPHEN-2-YL)-ACETONITRILE
Article Data: 9
Molecular Structure:
Molecular Structure of 71637-37-1 ((5-BROMO-THIOPHEN-2-YL)-ACETONITRILE)
Formula: C6H4BrNS
Molecular Weight: 202.074
Synonyms: 5-Bromo-2-thiophenacetonitrile;5-Bromo-2-thiopheneacetonitrile;
Density: 1.665 g/cm3
Boiling Point: 285.2 °C at 760 mmHg
Flash Point: 126.3 °C
PSA: 52.03000
LogP: 2.57668
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Specification

The 2-Thiopheneacetonitrile,5-bromo- is an organic compound with the formula C6H4BrNS. The systematic name of this chemical is (5-Bromothiophen-2-yl)acetonitrile. With the CAS registry number 71637-37-1, it is also named as 2-(5-Bromothiophen-2-yl)acetonitrile. Besides, its molecular weight is 202.07.

The physical properties of 2-Thiopheneacetonitrile,5-bromo- are: (1)ACD/LogP: 1.98; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 52.03 Å2; (5)Index of Refraction: 1.605; (6)Molar Refractivity: 41.79 cm3; (7)Molar Volume: 121.2 cm3; (8)Polarizability: 16.56×10-24 cm3; (9)Surface Tension: 52 dyne/cm; (10)Density: 1.665 g/cm3; (11)Flash Point: 126.3 °C; (12)Enthalpy of Vaporization: 52.42 kJ/mol; (13)Boiling Point: 285.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00285 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1sc(Br)cc1
(2)InChI: InChI=1/C6H4BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3H2
(3)InChIKey: ZFTILCZVZSZDLI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H4BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3H2
(5)Std. InChIKey: ZFTILCZVZSZDLI-UHFFFAOYSA-N