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| CAS No.: | 24540-94-1 |
|---|---|
| Name: | DECYL ISOTHIOCYANATE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H21NS |
| Molecular Weight: | 199.36 |
| Synonyms: | Isothiocyanicacid, decyl ester (8CI);Decyl isothiocyanate; |
| Density: | 0.89 g/cm3 |
| Boiling Point: | 275.5 °C at 760 mmHg |
| Flash Point: | 122.6 °C |
| Hazard Symbols: | R20/22:Harmful by inhalation and if swallowed.; R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 20/22-36/38 |
| Safety: | 26-36/37/39 |
| PSA: | 44.45000 |
| LogP: | 4.22990 |
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- Total:14 Page 1 of 1 1
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Specification
The Decane,1-isothiocyanato- is an organic compound with the formula C11H21NS. The IUPAC name of this chemical is 1-Isothiocyanatodecane. With the CAS registry number 24540-94-1, it is also named as Decyl isothiocyanate. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about Decane,1-isothiocyanato- are: (1)ACD/LogP: 5.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.72; (4)ACD/LogD (pH 7.4): 5.72; (5)ACD/BCF (pH 5.5): 13116.22; (6)ACD/BCF (pH 7.4): 13116.22; (7)ACD/KOC (pH 5.5): 30840.1; (8)ACD/KOC (pH 7.4): 30840.1; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 44.45 Å2; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 63.43 cm3; (14)Molar Volume: 222.1 cm3; (15)Polarizability: 25.14×10-24 cm3; (16)Surface Tension: 30 dyne/cm; (17)Density: 0.89 g/cm3; (18)Flash Point: 122.6 °C; (19)Enthalpy of Vaporization: 49.33 kJ/mol; (20)Boiling Point: 275.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00851 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed. Besides, this chemical is irritating to eyes and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
(2)InChIKey: HFWWGJSMDPUEFD-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
(4)Std. InChIKey: HFWWGJSMDPUEFD-UHFFFAOYSA-N