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53119-61-2

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Basic Information
CAS No.: 53119-61-2
Name: 2-Bromo-3-ethylthiophene
Article Data: 8
Molecular Structure:
Molecular Structure of 53119-61-2 (2-Bromo-3-ethylthiophene)
Formula: C6H7BrS
Molecular Weight: 191.09
Synonyms: 2-Bromo-3-ethylthiophene;thiophene, 2-bromo-3-ethyl-
Density: 1.494 g/cm3
Boiling Point: 197.17 °C at 760 mmHg
Flash Point: 73.046 °C
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Specification

This chemical has the systematic name 2-Bromo-3-ethylthiophene. It is an organic compound with the formula C6H7BrS. With the CAS registry number 53119-61-2, it is also named as thiophene, 2-bromo-3-ethyl-.

Physical properties about 2-Bromo-3-ethylthiophene are: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 409; (5)ACD/BCF (pH 7.4): 409; (6)ACD/KOC (pH 5.5): 2578; (7)ACD/KOC (pH 7.4): 2578; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.24 Å2; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 41.877 cm3; (12)Molar Volume: 127.915 cm3; (13)Polarizability: 16.601×10-24cm3; (14)Surface Tension: 37.969 dyne/cm; (15)Density: 1.494 g/cm3; (16)Flash Point: 73.046 °C; (17)Enthalpy of Vaporization: 41.565 kJ/mol; (18)Boiling Point: 197.17 °C at 760 mmHg; (19)Vapour Pressure: 0.54 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccsc1Br
(2)InChI: InChI=1/C6H7BrS/c1-2-5-3-4-8-6(5)7/h3-4H,2H2,1H3
(3)InChIKey: MPTKQBAGXQUSMP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H7BrS/c1-2-5-3-4-8-6(5)7/h3-4H,2H2,1H3
(5)Std. InChIKey: MPTKQBAGXQUSMP-UHFFFAOYSA-N