Chemical Properties of 4-Bromo-2,6-dimethylphenyl isothiocyanate (CAS 77159-76-3)

4-Bromo-2,6-dimethylphenyl isothiocyanate

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InChI
InChI=1S/C9H8BrNS/c1-6-3-8(10)4-7(2)9(6)11-5-12/h3-4H,1-2H3
InChI Key
CAANWLMQHPUROR-UHFFFAOYSA-N
Formula
C9H8BrNS
SMILES
Cc1cc(Br)cc(C)c1N=C=S
Molecular Weight1
242.14
CAS
77159-76-3
Sources

Physical Properties

Property Value Unit Source
Δfgas 283.43 kJ/mol Joback Calculated Property
Δvap 56.77 kJ/mol Joback Calculated Property
logPoct/wat 3.80 Crippen Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Tboil 659.05 K Joback Calculated Property
Tc 928.74 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 2
=C< (ring) 4
-S- 1
-CH3 2
-Br 1

Similar Compounds

Benzene, 4-bromo-1-isothiocyanato-2-methyl-. 2,6-Dimethylphenyl isothiocyanate. Benzenamine, 4-bromo-2,6-dimethyl-. 2,4,6-Trimethylphenyl isothiocyanate. 2,4-Dimethylphenyl isothiocyanate. 4-Bromo-2-trifluoromethylphenyl isothiocyanate. Benzene, 1-isothiocyanato-2-methyl-. Benzenamine, 4-bromo-2-methyl-. 2-Ethyl-6-methylphenyl isothiocyanate. 2,3-Dimethylphenylisothiocyanate. 2,6-Diethylphenyl isothiocyanate. 2,5-Dimethylphenyl isothiocyanate. Benzene, 1-bromo-4-isothiocyanato-2-methyl-. 2-Cyanophenyl isothiocyanate. N,N,2,6-Tetramethylaniline,4-bromo-.

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