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3-Thiophenecarbonitrile,2-bromo-

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Name

3-Thiophenecarbonitrile,2-bromo-

EINECS N/A
CAS No. 56182-43-5 Density 1.82g/cm3
PSA 52.03000 LogP 2.38228
Solubility N/A Melting Point N/A
Formula C5H2BrNS Boiling Point 284.314 °C at 760 mmHg
Molecular Weight 188.048 Flash Point 125.749 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56182-43-5 (2-Bromothiophene-3-carbonitrile) Hazard Symbols N/A
Synonyms

2-Bromo-3-cyanothiophene;2-Bromothiophene-3-carbonitrile;

 

3-Thiophenecarbonitrile,2-bromo- 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

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