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45438-73-1

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Basic Information
CAS No.: 45438-73-1
Name: THIOPHENE, 2-(BROMOMETHYL)-
Article Data: 51
Molecular Structure:
Molecular Structure of 45438-73-1 (THIOPHENE, 2-(BROMOMETHYL)-)
Formula: C5H5BrS
Molecular Weight: 177.065
Synonyms: 2-Thenyl bromide;2-Thienylmethyl bromide;
Density: 1.633 g/cm3
Melting Point: -10 °C
Boiling Point: 193.251 °C at 760 mmHg
Flash Point: 70.676 °C
PSA: 28.24000
LogP: 2.64300
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Specification

The 2-Bromomethylthiophene with the CAS number 45438-73-1 is also called Thiophene,2-(bromomethyl)-. Its molecular formula is C5H5BrS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 28.24Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 37.285 cm3; (9)Molar Volume: 108.405 cm3; (10)Polarizability: 14.781×10-24cm3; (11)Surface Tension: 44.117 dyne/cm; (12)Enthalpy of Vaporization: 41.188 kJ/mol; (13)Vapour Pressure: 0.654 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1sccc1
(2)InChI: InChI=1/C5H5BrS/c6-4-5-2-1-3-7-5/h1-3H,4H2
(3)InChIKey: QZOBOLDDGXPTBP-UHFFFAOYAN