Chemical Properties of 6-Bromo-«alpha»,«alpha»,«alpha»-trifluoro-m-toluidine (CAS 454-79-5)

6-Bromo-«alpha»,«alpha»,«alpha»-trifluoro-m-toluidine

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InChI
InChI=1S/C7H5BrF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChI Key
PZDVFXUBTKPFSG-UHFFFAOYSA-N
Formula
C7H5BrF3N
SMILES
Nc1cc(C(F)(F)F)ccc1Br
Molecular Weight1
240.02
CAS
454-79-5
Other Names
  • 3-Amino-4-bromobenzotrifluoride
  • Benzenamine, 2-bromo-5-(trifluoromethyl)-
  • 6-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine
  • 2-Amino-4-trifluoromethyl-1-bromobenzene
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Physical Properties

Property Value Unit Source
Δf -399.61 kJ/mol Joback Calculated Property
Δfgas -511.18 kJ/mol Joback Calculated Property
Δfus 19.46 kJ/mol Joback Calculated Property
Δvap 48.11 kJ/mol Joback Calculated Property
log10WS -3.37 Crippen Calculated Property
logPoct/wat 3.050 Crippen Calculated Property
McVol 118.520 ml/mol McGowan Calculated Property
Pc 4010.84 kPa Joback Calculated Property
Inp [1209.30; 1209.30]   Show Hide
Inp 1209.30 NIST
Inp 1209.30 NIST
Tboil 529.47 K Joback Calculated Property
Tc 753.19 K Joback Calculated Property
Tfus 367.36 K Joback Calculated Property
Vc 0.454 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [248.96; 294.12] J/mol×K [529.47; 753.19] Show Hide
Cp,gas 248.96 J/mol×K 529.47 Joback Calculated Property
Cp,gas 258.25 J/mol×K 566.76 Joback Calculated Property
Cp,gas 266.76 J/mol×K 604.04 Joback Calculated Property
Cp,gas 274.55 J/mol×K 641.33 Joback Calculated Property
Cp,gas 281.67 J/mol×K 678.62 Joback Calculated Property
Cp,gas 288.17 J/mol×K 715.91 Joback Calculated Property
Cp,gas 294.12 J/mol×K 753.19 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 354.50 ± 0.50 K 0.70 NIST

Similar Compounds

Benzenamine, 3-(trifluoromethyl)-. Benzenamine, 2-bromo-4-(trifluoromethyl)-. 5-Amino-2-bromobenzotrifluoride. 4-Bromo-3-nitrobenzotrifluoride. Trifluoromethylbenzene, 3,4-diamine-. «alpha»,«alpha»,«alpha»,6-Tetrafluoro-m-toluidine. Benzenamine, 2-chloro-5-(trifluoromethyl)-. Benzenamine, 4-chloro-3-(trifluoromethyl)-. 3-Amino-4-(methylthio)benzotrifluoride. Benzenamine, 4-bromo-2-(trifluoromethyl)-. 2-(Trifluoromethyl)-1,4-phenyldiamine. Benzenamine, 2-bromo-4-methyl-. 3-Amino-2-fluorobenzotrifluoride. Benzenamine, 4-fluoro-3-(trifluoromethyl)-. 5-Amino-2-nitrobenzotrifluoride.

Find more compounds similar to 6-Bromo-«alpha»,«alpha»,«alpha»-trifluoro-m-toluidine.

Sources

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