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Name |
2-Thiophenecarbonitrile,3-chloro- |
EINECS | N/A |
CAS No. | 147123-67-9 | Density | 1.42 g/cm3 |
PSA | 52.03000 | LogP | 2.27318 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H2ClNS | Boiling Point | 243.7 °C at 760 mmHg |
Molecular Weight | 143.5941 | Flash Point | 101.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 22-37/38-41-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Chlorothiophene-2-carbonitrile;3-Chloro-2-cyanothiophene; |
Article Data | 5 |
The 2-Thiophenecarbonitrile,3-chloro- is an organic compound with the formula C5H2ClNS. The systematic name of this chemical is 3-Chlorothiophene-2-carbonitrile. With the CAS registry number 147123-67-9, it is also named as 3-Chloro-2-cyanothiophene. The category of the product is Nitrile. Besides, its molecular weight is 143.5941.
The physical properties of 2-Thiophenecarbonitrile,3-chloro- are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.89; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 16.09; (5)ACD/BCF (pH 7.4): 16.09; (6)ACD/KOC (pH 5.5): 254.2; (7)ACD/KOC (pH 7.4): 254.2; (8)#H bond acceptors: 1; (9)Polar Surface Area: 52.03 Å2; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 34.28 cm3; (12)Molar Volume: 101 cm3; (13)Polarizability: 13.59×10-24 cm3; (14)Surface Tension: 54.8 dyne/cm; (15)Density: 1.42 g/cm3; (16)Flash Point: 101.2 °C; (17)Enthalpy of Vaporization: 48.07 kJ/mol; (18)Boiling Point: 243.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0316 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1sccc1Cl
(2)InChI: InChI=1/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H
(3)InChIKey: FPGDDWCTBDGPAD-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H2ClNS/c6-4-1-2-8-5(4)3-7/h1-2H
(5)Std. InChIKey: FPGDDWCTBDGPAD-UHFFFAOYSA-N