Chemical Properties of 2-Fluorobenzyl isothiocyanate (CAS 64382-80-5)

2-Fluorobenzyl isothiocyanate

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InChI
InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI Key
HHJNPMOABDDXEL-UHFFFAOYSA-N
Formula
C8H6FNS
SMILES
Fc1ccccc1CN=C=S
Molecular Weight1
167.20
CAS
64382-80-5
Sources

Physical Properties

Property Value Unit Source
Δfgas 104.57 kJ/mol Joback Calculated Property
Δvap 45.96 kJ/mol Joback Calculated Property
logPoct/wat 2.43 Crippen Calculated Property
Pc 3488.88 kPa Joback Calculated Property
Tboil 559.32 K Joback Calculated Property
Tc 806.48 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-F 1
-N= 1
=CH- (ring) 4
-S- 1
=C< (ring) 2
-CH2- 1

Similar Compounds

Benzenemethanamine, 2-fluoro-. 4-Fluorobenzyl isothiocyanate. 2,6-Difluorobenzylamine. 2,5-Difluorobenzylamine. Benzamide, 2-fluoro-. Benzene, (isothiocyanatomethyl)-. 4-Fluoro-.alpha.-methylbenzyl isothiocyanate. P-methylbenzyl isothiocyanate. Benzamide, 2,6-difluoro-. 2-Fluorobenzhydrazide. 3-Methylbenzyl isothiocyanate. 2-Amino-6-fluorobenzylamine. M-fluorobenzylamine. Benzamide, 2,5-difluoro-. Benzylamine, o-fluoro-n-methyl-n-2-propynyl-.

Find more compounds similar to 2-Fluorobenzyl isothiocyanate.

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