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| Name |
4-Fluorobutanal |
EINECS | N/A |
| CAS No. | 462-74-8 | Density | 0.925g/cm3 |
| PSA | 17.07000 | LogP | 0.93500 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H7 F O | Boiling Point | 98.2°C at 760 mmHg |
| Molecular Weight | 90.0974 | Flash Point | 26.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyraldehyde,4-fluoro- (6CI,8CI); 4-Fluorobutanal |
4-Fluorobutanal Chemical Properties
Molecule structure of 4-Fluorobutanal (CAS NO.462-74-8) :
IUPAC Name: 4-fluorobutanal
Molecular Weight: 90.096183 g/mol
Molecular Formula: C4H7FO
Density: 0.925 g/cm3
Boiling Point: 98.2 °C at 760 mmHg
Flash Point: 26.1 °C
Molar Volume: 97.3 cm3
Polarizability: 8.29*10-24 cm3
Surface Tension: 21.5 dyne/cm
Enthalpy of Vaporization: 33.76 kJ/mol
Vapour Pressure: 40.4 mmHg at 25 °C
XLogP3-AA: 0.4
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 90.048093
MonoIsotopic Mass: 90.048093
Topological Polar Surface Area: 17.1
Heavy Atom Count: 6
Complexity: 36.5
Canonical SMILES: C(CC=O)CF
InChI: InChI=1S/C4H7FO/c5-3-1-2-4-6/h4H,1-3H2
InChIKey: FYLHRUFFEZANKX-UHFFFAOYSA-N
4-Fluorobutanal Toxicity Data With Reference
| 1. | ipr-mus LD50:2 mg/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum1986,558. |
4-Fluorobutanal Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of F−.
4-Fluorobutanal Specification
4-Fluorobutanal (CAS NO.462-74-8) is also called Butanal, 4-fluoro- (9CI) ; Butyraldehyde, 4-fluoro- .
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