-
Name
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran
- EINECS
- CAS No. 36431-22-8
- Density 1.27g/cm3
- Solubility
- Melting Point 170oC
- Formula C33H32 N2 O3
- Boiling Point 686.6°Cat760mmHg
- Molecular Weight 504.62
- Flash Point 369°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran;3-Diethylamino-6-methyl-7-(2',4'-dimethylanilino)fluoran; BK 15; Yamamoto Black15
- PSA 50.80000
- LogP 7.84260
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran Chemical Properties
Molecular Structure of 2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran (CAS No.36431-22-8):
Molecular Formula: C33H32N2O3
Molecular Weight: 504.6188
CAS No: 36431-22-8
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 42.01 Å2
Index of Refraction: 1.678
Molar Refractivity: 149.56 cm3
Molar Volume: 396.6 cm3
Surface Tension: 61.1 dyne/cm
Density: 1.27 g/cm3
Flash Point: 369 °C
Enthalpy of Vaporization: 100.67 kJ/mol
Boiling Point: 686.6 °C at 760 mmHg
Vapour Pressure: 1.06E-18 mmHg at 25°C
IUPAC Name: 6'-(Diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI: InChI=1/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3
InChIKey: GFGSEGIRJFDXFP-UHFFFAOYAJ
Std. InChI: InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3
Std. InChIKey: GFGSEGIRJFDXFP-UHFFFAOYSA-N
Product Categories: API intermediates
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran Specification
2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran (CAS No.36431-22-8), its synonyms are 6'-Diethylamino-2'-[(2,4-dimethylphenyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one ; 6'-(Diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one ; Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl- .
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