- Zinc
- Zinc (S)-3-oxidopropionate
- Zinc 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine
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Cas Database |
| Name |
Zinc 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine |
EINECS | N/A |
| CAS No. | 39001-65-5 | Density | N/A |
| PSA | 105.48000 | LogP | 13.89730 |
| Solubility | N/A | Melting Point |
>300 °C(lit.) |
| Formula | C48H48N8Zn | Boiling Point | N/A |
| Molecular Weight | 802.36 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Zinc, [2,9,16,23-tetrakis(1,1-dimethylethyl)-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-;29H,31H-Phthalocyanine, zinc deriv;2,9,16,23-Tetra-tert-butylphthalocyaninato zinc;Zinc 2,9,16,23-tetra-tert-butylphthalocyanine;Tetra-4-tert-butylphthalocyanine zinc;29H,31H-Phthalocyanine, 2,9,16,23-tetrakis(1,1-dimethylethyl)-, zinc complex; |
Article Data | 7 |
Zinc 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine Specification
The 2,9,16,23-Tetrakis(tert-butyl)phthalocyanine, with the CAS registry number 39001-65-5, is also known as 2,9,16,23-Tetra-tert-butylphthalocyaninato zinc. This chemical's molecular formula is C48H48N8Zn and molecular weight is 802.36. What's more, its systematic name is [2,9,16,23-Tetrakis(2-methyl-2-propanyl)-29H,31H-phthalocyaninato(2-)-κ2N29,N31]zinc.
Physical properties of 2,9,16,23-Tetrakis(tert-butyl)phthalocyanine are: (1)#H bond acceptors: 8; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 82.33 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1ccc2c(c1)c3/nc/4\nc(/nc\5/c6ccc(cc6c7/n5[Zn]n3c2/nc/8\nc(\n7)-c9c8cc(cc9)C(C)(C)C)C(C)(C)C)-c1c4ccc(c1)C(C)(C)C
(2)Std. InChI: InChI=1S/C48H48N8.Zn/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2
(3)Std. InChIKey: XWOSAEWCOSVNDP-UHFFFAOYSA-N
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