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462-74-8

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Basic Information
CAS No.: 462-74-8
Name: 4-Fluorobutyraldehyde
Molecular Structure:
Molecular Structure of 462-74-8 (4-Fluorobutyraldehyde)
Formula: C4H7 F O
Molecular Weight: 90.0974
Synonyms: Butyraldehyde,4-fluoro- (6CI,8CI); 4-Fluorobutanal
Density: 0.925g/cm3
Boiling Point: 98.2°C at 760 mmHg
Flash Point: 26.1°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of F−.
PSA: 17.07000
LogP: 0.93500
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  • 4-FLUORO-BUTYRALDEHYDECAS

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    4-FLUORO-BUTYRALDEHYDECAS

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Chemistry

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

Toxicity Data With Reference

1.    

ipr-mus LD50:2 mg/kg

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum1986,558.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of F−.

Specification

4-Fluorobutanal (CAS NO.462-74-8) is also called Butanal, 4-fluoro- (9CI) ; Butyraldehyde, 4-fluoro- .