- 4-Fluorobutyl bromide
- 4-Fluorobutyl chloride
- 4-Fluorobutyl Iodide
- 4-Fluorobutyl thiocyanate
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| Name |
4-Fluorobutyl thiocyanate |
EINECS | N/A |
| CAS No. | 353-17-3 | Density | 1.075g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H8FNS | Boiling Point | 210.7°Cat760mmHg |
| Molecular Weight | 133.20 | Flash Point | 81.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-Fluorobutyl thiocyanate Chemical Properties
Molecule structure of 4-Fluorobutyl thiocyanate (CAS NO.353-17-3) :
IUPAC Name: 4-fluorobutyl thiocyanate
Molecular Weight: 133.187123 g/mol
Molecular Formula: C5H8FNS
Density: 1.075 g/cm3
Boiling Point: 210.7 °C at 760 mmHg
Flash Point: 81.2 °C
Molar Volume: 123.8 cm3
Polarizability: 13.19*10-24 cm3
Surface Tension: 34.1 dyne/cm
Enthalpy of Vaporization: 44.7 kJ/mol
Vapour Pressure: 0.19 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 133.036148
MonoIsotopic Mass: 133.036148
Topological Polar Surface Area: 23.8
Heavy Atom Count: 8
Complexity: 85.7
Canonical SMILES: C(CCSC#N)CF
InChI: InChI=1S/C5H8FNS/c6-3-1-2-4-8-5-7/h1-4H2
InChIKey: WJNNTTIXPJJQJD-UHFFFAOYSA-N
4-Fluorobutyl thiocyanate Toxicity Data With Reference
| 1. | ipr-mus LD50:2600 µg/kg | JACSAT Journal of the American Chemical Society. 78 (1956),3843. | ||
| 2. | scu-mus LD50:2600 µg/kg CLDND* |
4-Fluorobutyl thiocyanate Safety Profile
Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx. See also THIOCYANATES and FLUORIDES.
4-Fluorobutyl thiocyanate Specification
4-Fluorobutyl thiocyanate (CAS NO.353-17-3) is also called Thiocyanic acid 4-fluorobutyl ester .
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