- 5-Fluoroamyl chloride
- 5-Fluoroamyl thiocyanate
- 5-Fluoroamylamine
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| Name |
5-Fluoroamyl thiocyanate |
EINECS | N/A |
| CAS No. | 661-18-7 | Density | 1.048g/cm3 |
| PSA | 49.09000 | LogP | 2.34048 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H10FNS | Boiling Point | 228.3°Cat760mmHg |
| Molecular Weight | 147.23 | Flash Point | 91.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Fluor-pentylthiocyanat;Thiocyansaeure-(5-fluor-pentylester);5-FLUOROAMYL THIOCYANATE;1-Fluor-5-thiocyanato-pentan; |
5-Fluoroamyl thiocyanate Chemical Properties
Molecule structure of 5-Fluoroamyl thiocyanate (CAS NO.661-18-7):
IUPAC Name: 5-Fluoropentyl thiocyanate
Molecular Weight: 147.213703 g/mol
Molecular Formula: C6H10FNS
Density: 1.048 g/cm3
Boiling Point: 228.3 °C at 760 mmHg
Flash Point: 91.9 °C
Index of Refraction: 1.452
Molar Refractivity: 37.92 cm3
Molar Volume: 140.3 cm3
Polarizability: 15.03×10-24 cm3
Surface Tension: 34.1 dyne/cm
Enthalpy of Vaporization: 46.49 kJ/mol
Vapour Pressure: 0.0739 mmHg at 25 °C
XLogP3: 2.2
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 147.051798
MonoIsotopic Mass: 147.051798
Topological Polar Surface Area: 23.8
Heavy Atom Count: 9
Complexity: 96.5
Canonical SMILES: C(CCF)CCSC#N
InChI: InChI=1S/C6H10FNS/c7-4-2-1-3-5-9-6-8/h1-5H2
InChIKey: QHACRDBQKDNTBY-UHFFFAOYSA-N
Classification Code of 5-Fluoroamyl thiocyanate (CAS NO.661-18-7): Drug / Therapeutic Agent
5-Fluoroamyl thiocyanate Toxicity Data With Reference
| 1. | ipr-mus LD50:30 mg/kg | JACSAT Journal of the American Chemical Society. 78 (1956),3843. | ||
| 2. | scu-mus LD50:30 mg/kg CLDND* |
5-Fluoroamyl thiocyanate Safety Profile
Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES.
5-Fluoroamyl thiocyanate Specification
5-Fluoroamyl thiocyanate (CAS NO.661-18-7) is also named as 4-03-00-00331 (Beilstein Handbook Reference) ; 5-Fluoropentyl thiocyanate ; BRN 1752636 ; Thiocyanic acid, 5-fluoropentyl ester .
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