CAS No.56182-43-5,2-Bromothiophene-3-carbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56182-43-5
Name:	2-Bromothiophene-3-carbonitrile
Article Data:	5

Formula:	C₅H₂BrNS
Molecular Weight:	188.048
Synonyms:	2-Bromo-3-cyanothiophene;2-Bromothiophene-3-carbonitrile;
Density:	1.82g/cm³
Boiling Point:	284.314 °C at 760 mmHg
Flash Point:	125.749 °C
PSA:	52.03000
LogP:	2.38228

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Specification

The 3-Thiophenecarbonitrile,2-bromo-, with CAS registry number 56182-43-5, has the systematic name of 2-bromothiophene-3-carbonitrile. Besides this, it is also called 2-Bromo-3-cyanothiophene. Its molecular weight is 188.04508. And the chemical formula of this chemical is C₅H₂BrNS.

Physical properties of 3-Thiophenecarbonitrile,2-bromo-: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 286; (8)ACD/KOC (pH 7.4): 286; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.03 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 37.183 cm³; (15)Molar Volume: 102.964 cm³; (16)Polarizability: 14.74×10^-24cm³; (17)Surface Tension: 62.024 dyne/cm; (18)Density: 1.826 g/cm³; (19)Flash Point: 125.749 °C; (20)Enthalpy of Vaporization: 52.329 kJ/mol; (21)Boiling Point: 284.314 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccsc1Br
(2)InChI: InChI=1/C5H2BrNS/c6-5-4(3-7)1-2-8-5/h1-2H
(3)InChIKey: GHMDOVNPFWGFSZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H2BrNS/c6-5-4(3-7)1-2-8-5/h1-2H
(5)Std. InChIKey: GHMDOVNPFWGFSZ-UHFFFAOYSA-N