-
Name
Solvent Green 28
- EINECS 248-895-9
- CAS No. 28198-05-2
- Density 1.274 g/cm3
- Solubility 0.005ng/L at 25℃
- Melting Point
- Formula C34H34N2O4
- Boiling Point 716.9 °C at 760 mmHg
- Molecular Weight 534.655
- Flash Point 387.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Anthraquinone, 1,4-bis(p-butylanilino)-5,8-dihydroxy- (8CI);1,4-Bis(4-butylanilino)-5,8-dihydroxyanthraquinone;1,4-Bis[(4-butylphenyl)amino]-5,8-dihydroxy-9,10-anthracenedione;C.I. 615676;C.I. Solvent Green 20;Solvent Green 28;Waxoline Green 5G;
- PSA 98.66000
- LogP 8.19160
Solvent Green 20 Specification
The Solvent Green 28 with the cas number 28198-05-2 is also called 9,10-anthracenedione, 1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-. Both the systematic name and IUPAC name are 1,4-bis(4-butylanilino)-5,8-dihydroxyanthracene-9,10-dione. Its EINECS registry number is 248-895-9. The molecular formula is C34H34N2O4.
The properties of the chemical are: (1)ACD/LogP: 9.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.65; (4)ACD/LogD (pH 7.4): 8.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4097116; (8)ACD/KOC (pH 7.4): 624544.25; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 158.81 cm3; (15)Molar Volume: 419.6 cm3; (16)Polarizability: 62.95×10-24cm3; (17)Surface Tension: 63.1 dyne/cm; (18)Enthalpy of Vaporization: 108.49 kJ/mol; (19)Vapour Pressure: 3.11×10-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c2c(c(Nc1ccc(cc1)CCCC)ccc2Nc3ccc(cc3)CCCC)C(=O)c5c4c(O)ccc5O
(2)InChI: InChI=1/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3
(3)InChIKey: KTEFLEFPDDQMCB-UHFFFAOYAZ
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