Molecule structure of Dispersol Black 2B (CAS NO.6232-57-1):
IUPAC Name: 4-(4-Aminophenyl)diazenyl-2-methoxy-5-methylaniline
Molecular Weight: 256.30304 g/mol
Molecular Formula: C14H16N4O
Density: 1.22 g/cm3
Boiling Point: 482 °C at 760 mmHg
Flash Point: 245.3 °C
Index of Refraction: 1.615
Molar Refractivity: 72.92 cm3
Molar Volume: 208.7 cm3
Surface Tension: 45.8 dyne/cm
Enthalpy of Vaporization: 74.68 kJ/mol
Vapour Pressure: 1.89E-09 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 256.132411
MonoIsotopic Mass: 256.132411
Topological Polar Surface Area: 86
Heavy Atom Count: 19
Canonical SMILES: CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)N)OC)N
InChI: InChI=1S/C14H16N4O/c1-9-7-12(16)14(19-2)8-13(9)18-17-11-5-3-10(15)4-6-11/h3-8H,15-16H2,1-2H3
InChIKey: DBENZRUFCCLWPP-UHFFFAOYSA-N
EINECS of Dispersol Black 2B (CAS NO.6232-57-1): 228-341-2
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37/39
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Dispersol Black 2B (CAS NO.6232-57-1) is also named as 4,4'-Diamino-3-methoxy-6-methylazobenzene ; 4-((4-Aminophenyl)azo)-5-methyl-2-methoxyaniline ; 4-((4-Aminophenyl)azo)-5-methyl-o-anisidine ; Benzenamine, 4-((4-aminophenyl)azo)-2-methoxy-5-methyl- ; Benzenamine, 4-(2-(4-aminophenyl)diazenyl)-2-methoxy-5-methyl- .
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