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Search term: 35013572 (Found by CSID)
ChemSpider 2D Image | 4-(2,2'-Bithiophen-5-yl)-1-chloro-3-butyn-2-ol | C12H9ClOS2

4-(2,2'-Bithiophen-5-yl)-1-chloro-3-butyn-2-ol

  • Molecular FormulaC12H9ClOS2
  • Average mass268.782 Da
  • Monoisotopic mass267.978333 Da
  • ChemSpider ID35013572

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1020-03-7 [RN]
3-Butyn-2-ol, 4-[2,2'-bithiophen]-5-yl-1-chloro- [ACD/Index Name]
4-(2,2'-Bithiophen-5-yl)-1-chlor-3-butin-2-ol [German] [ACD/IUPAC Name]
4-(2,2'-Bithiophen-5-yl)-1-chloro-3-butyn-2-ol [ACD/IUPAC Name]
4-(2,2'-Bithiophén-5-yl)-1-chloro-3-butyn-2-ol [French] [ACD/IUPAC Name]
1-Chloro-4-[5-(3-thienyl)-2-thienyl]-3-butyn-2-ol, 8CI
1-chloro-4-[5-(thiophen-2-yl)thiophen-2-yl]but-3-yn-2-ol
5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 425.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 211.1±28.7 °C
Index of Refraction: 1.672
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 806.71
ACD/KOC (pH 5.5): 4190.13
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 806.65
ACD/KOC (pH 7.4): 4189.83
Polar Surface Area: 77 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 188.7±5.0 cm3

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