Molecule structure of 5-Chloromethylfurfural (CAS NO.1623-88-7):
IUPAC Name: 5-(Chloromethyl)furan-2-carbaldehyde
Molecular Weight: 144.5557 [g/mol]
Molecular Formula: C6H5ClO2
Index of Refraction: 1.541
Molar Refractivity: 35.07 cm3
Molar Volume: 111.5 cm3
Polarizability: 13.9×10-24 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.295 g/cm3
Flash Point: 109.6 °C
Enthalpy of Vaporization: 49.51 kJ/mol
Boiling Point: 257.5 °C at 760 mmHg
Vapour Pressure: 0.0145 mmHg at 25 °C
XLogP3: 0.7
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 143.997807
MonoIsotopic Mass: 143.997807
Topological Polar Surface Area: 30.2
Heavy Atom Count: 9
Complexity: 105
Canonical SMILES: C1=C(OC(=C1)C=O)CCl
InChI: InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChIKey: KAZRCBVXUOCTIO-UHFFFAOYSA-N
EINECS: 216-608-6
Product Categories of 5-Chloromethylfurfural (CAS NO.1623-88-7): Furans
5-Chloromethylfurfural (CAS NO.1623-88-7) is also called 5-(Chloromethyl)-2-furaldehyde ; 5-(Chloromethyl)furan-2-carbaldehyde ; 2-Furancarboxaldehyde,5-(chloromethyl)- ; 2-Furaldehyde,5-(chloromethyl)- (6CI,7CI,8CI) ; 2-Formyl-5-chloromethylfuran ; 5-(Chloromethyl)-2-furancarboxaldehyde ; 5-(Chloromethyl)-2-furfural ; 5-(Chloromethyl)furfural ; 5-(Chloromethyl)furfuraldehyde .
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