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CAS No.: | 19394-61-7 |
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Name: | 2-BIPHENYL ISOTHIOCYANATE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C13H9NS |
Molecular Weight: | 211.287 |
Synonyms: | Isothiocyanicacid, 2-biphenylyl ester (8CI);2-Isothiocyanatobiphenyl;2-Isothiocyanato-1,1'-biphenyl;2-Phenylphenyl isothiocyanate; |
Density: | 1.06 g/cm3 |
Melting Point: | 70 °C |
Boiling Point: | 369.1 °C at 760 mmHg |
Flash Point: | 188 °C |
PSA: | 44.45000 |
LogP: | 4.08790 |
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The CAS registry number of 1,1'-Biphenyl,2-isothiocyanato- is 19394-61-7. In addition, the molecular formula is C13H9NS and the molecular weight is 211.28. Its systematic name is 2-isothiocyanatobiphenyl. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,1'-Biphenyl,2-isothiocyanato- are: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.8; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 15140.76; (6)ACD/BCF (pH 7.4): 15140.76; (7)ACD/KOC (pH 5.5): 34177.25; (8)ACD/KOC (pH 7.4): 34177.25; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.45 Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 67.73 cm3; (14)Molar Volume: 198.2 cm3; (15)Polarizability: 26.85 ×10-24cm3; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 188 °C; (19)Enthalpy of Vaporization: 59.16 kJ/mol; (20)Boiling Point: 369.1 °C at 760 mmHg; (21)Vapour Pressure: 2.58E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N\c2ccccc2c1ccccc1
(2)Std. InChI: InChI=1S/C13H9NS/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H
(3)Std. InChIKey: OAYSYSIGKCDBKZ-UHFFFAOYSA-N