Chemical Properties of Benzenamine, 2-chloro-5-(trifluoromethyl)- (CAS 121-50-6)

InChI

InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

InChI Key

VKTTYIXIDXWHKW-UHFFFAOYSA-N

Formula

C7H5ClF3N

SMILES

Nc1cc(C(F)(F)F)ccc1Cl

Molecular Weight¹

195.57

CAS

121-50-6

Other Names

• m-Toluidine, 6-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
• Azoene Fast Orange RD Salt
• C.I. 37050
• Daito Orange Salt RD
• Diazo Fast Orange RD
• Fast Orange RD Oil
• Fast Orange RD Salt
• Fast Orange Salt RDA
• Fast Orange Salt RDN
• Hiltosal Fast Orange RD Salt
• Orange Salt NRD
• Sanyo Fast Orange Salt RD
• 2-Chloro-5-(trifluoromethyl)aniline
• 3-Amino-4-chlorobenzotrifluoride
• 4-Chloro-3-aminobenzotrifluoride
• 6-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-toluidine
• Fast Orange Salt RD
• USAF MA-13
• 3-Amino-4-chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
• 6-Chloro-3-(trifluoromethyl)aniline
• NSC 10318

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[355.50; 355.50]	K	[1.00; 1.00]
Tboilr	355.50 ± 0.50	K	1.00	NIST
Tboilr	355.50 ± 0.50	K	1.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.74; 322.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.40000e+00
Coefficient B			7.00800e-01
Coefficient C			-5.38920e-04
Coefficient D			1.56500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.74	J/mol×K	273.00	Calculated Property
Cp,gas	191.81	J/mol×K	353.78	Calculated Property
Cp,gas	220.01	J/mol×K	434.56	Calculated Property
Cp,gas	243.84	J/mol×K	515.33	Calculated Property
Cp,gas	263.80	J/mol×K	596.11	Calculated Property
Cp,gas	280.38	J/mol×K	676.89	Calculated Property
Cp,gas	294.07	J/mol×K	757.67	Calculated Property
Cp,gas	305.37	J/mol×K	838.44	Calculated Property
Cp,gas	314.78	J/mol×K	919.22	Calculated Property
Cp,gas	322.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2-chloro-5-(trifluoromethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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