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| CAS No.: | 89331-94-2 |
|---|---|
| Name: | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,6'-(dibutylamino)-3'-methyl-2'-(phenylamino)- |
| Molecular Structure: | |
![Molecular Structure of 89331-94-2 (Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-)](http://www.lookchem.com/300w/2010/0624/89331-94-2.jpg) |
|
| Formula: | C35H36N2O3 |
| Molecular Weight: | 532.68 |
| Synonyms: | 2-Phenylamino-3-methyl-6-(di-n-butylamino)fluorane;3-Di-n-butylamino-6-methyl-7-anilinofluoran;3-Dibutylamino-6-methyl-7-phenylaminofluoran;3'-(Dibutylamino)-6'-methyl-7'-anilinofluoran;7'-Anilino-3'-(dibutylamino)-6'-methylfluoran;BK 400;Copikem 34;Copikem 34Black;6'-(Dibutylamino)-3'-methyl-2'-(phenylamino)-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one;H 638;ODB 2;Pergascript Black 2C;2-Anilino-3-methyl-6-(di-n-butylamino)fluoran;2-Anilino-6-di-n-butylamino-3-methylfluoran; |
| EINECS: | 403-830-5 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 179-184°C |
| Boiling Point: | 704.461 °C at 760 mmHg |
| Flash Point: | 379.845 °C |
| Solubility: | |
| Appearance: | |
| Hazard Symbols: | |
| Risk Codes: | 52/53 |
| Safety: | 61 |
| Transport Information: | |
| PSA: | 50.80000 |
| LogP: | 8.78620 |
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The 2-Anilino-6-dibutylamino-3-methylfluoran, with the CAS registry number 89331-94-2, is also known as 6'-(Dibutylamino)-3'-methyl-2'-(phenylamino)-spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one. It belongs to the product categories of Industrial/Fine Chemicals; API intermediates. Its EINECS number is 403-830-5. This chemical's molecular formula is C35H36N2O3 and molecular weight is 532.68. What's more, its systematic name is 2'-Anilino-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one. This chemical is used in the paper industry.
Physical properties of 2-Anilino-6-dibutylamino-3-methylfluoran are: (1)ACD/LogP: 8.796; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.74; (4)ACD/LogD (pH 7.4): 8.80; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1281889.00; (8)ACD/KOC (pH 7.4): 1450517.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 50.8 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 158.84 cm3; (15)Molar Volume: 429.673 cm3; (16)Polarizability: 62.969×10-24cm3; (17)Surface Tension: 59.41 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 379.845 °C; (20)Enthalpy of Vaporization: 103.078 kJ/mol; (21)Boiling Point: 704.461 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC5(c1ccccc12)c6ccc(N(CCCC)CCCC)cc6Oc4cc(c(Nc3ccccc3)cc45)C
(2)Std. InChI: InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
(3)Std. InChIKey: XAAILNNJDMIMON-UHFFFAOYSA-N
