Chemical Properties of [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dichloro- (CAS 91-94-1)

InChI

InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2

InChI Key

HUWXDEQWWKGHRV-UHFFFAOYSA-N

Formula

C12H10Cl2N2

SMILES

Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl

Molecular Weight¹

253.13

CAS

91-94-1

Other Names

• 3,3'-Dichlorbenzidin
• 3,3'-Dichloro-1,1'-biphenyl-4,4'-diamine
• 3,3'-Dichloro-4,4'-biphenyldiamine
• 3,3'-Dichloro-4,4'-diamino(1,1-biphenyl)
• 3,3'-Dichloro-4,4'-diaminobiphenyl
• 3,3'-Dichloro-4,4'-diaminodiphenyl
• 3,3'-Dichloro-p,p'-bianiline
• 3,3'-Dichlorobenzidina
• 3,3'-Dichlorobenzidine
• 3,3'-Dichlorobiphenyl-4,4'-diamine
• 3,3'-dichlorobiphenyl-4,4'-ylenediamine
• 4,4'-Diamino-3,3'-dichlorobiphenyl
• 4,4'-Diamino-3,3'-dichlorodiphenyl
• 4-(4-amino-3-chlorophenyl)-2-chloroaniline
• Benzidine, 3,3'-dichloro-
• C.I. 23060
• Curithane C 126
• Dichlorobenzidine base
• NSC 154073
• Rcra waste number U073
• o,o'-Dichlorobenzidine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6628		Relay (1.0) Calculated Property
ΔfG°	345.50	kJ/mol	Joback Calculated Property
ΔfH°gas	122.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.15	kJ/mol	Joback Calculated Property
ΔvapH°	108.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Aq. Solubility Prediction
logPoct/wat	3.825		Crippen Calculated Property
McVol	176.860	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	[395.30; 2463.00]
Inp	2416.64		NIST
Inp	2463.00		NIST
Inp	395.30		NIST
Inp	2416.64		NIST
Inp	2463.00		NIST
Inp	395.30		NIST
Tboil	643.96	K	Relay (1.0) Calculated Property
Tc	958.52	K	Relay (1.0) Calculated Property
Tfus	405.65	K	Aq. Solubility Prediction
Vc	0.622	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.72; 483.14]	J/mol×K	[767.16; 1037.29]
Cp,gas	430.72	J/mol×K	767.16	Joback Calculated Property
Cp,gas	441.78	J/mol×K	812.18	Joback Calculated Property
Cp,gas	451.82	J/mol×K	857.20	Joback Calculated Property
Cp,gas	460.90	J/mol×K	902.23	Joback Calculated Property
Cp,gas	469.11	J/mol×K	947.25	Joback Calculated Property
Cp,gas	476.50	J/mol×K	992.27	Joback Calculated Property
Cp,gas	483.14	J/mol×K	1037.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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