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| CAS No.: | 25704-81-8 |
|---|---|
| Name: | Vat Green 2 |
| Molecular Structure: | |
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| Formula: | C36H18 Br2 O4 |
| Molecular Weight: | 674.36 |
| Synonyms: | C.I. VatGreen 2 (7CI,8CI);Ahcovat Jade Green 2G;Amanthrene Brilliant Green GG;Anthraquinone Brilliant Green Concentrate Zh;Atic Vat JadeGreen 2G;Bright Green Zh;Brilliant GreenAnthraquinone Zh;Brilliant Green Zh;C.I. 59830;Caledon Jade Green 2G;Caledon Printing Jade Green 2G;Cibanone Brilliant GreenF 2GF;Dibromo-16,17-dimethoxyviolanthrone;IndanthrenBrilliant Green 3GF;Mikethrene Brilliant Green2G;Mikethrene Brilliant Green GG;Navinon Jade Green 2G;Nihonthrene BrilliantGreen GG;Novatic Jade Green 2G; |
| EINECS: | 247-192-4 |
| Density: | 1.741g/cm3 |
| Safety: | An eye irritant. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br−. |
| PSA: | 52.60000 |
| LogP: | 9.70220 |
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Reported in EPA TSCA Inventory.
Specification
The Vat Green 2, with the CAS registry number 25704-81-8. Its EINECS number is 247-192-4. It belongs to the product categories of Central Nervous System Agents.This chemical's molecular formula is C36H18Br2O4 and molecular weight is 674.33. What's more, its systematic name is Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, dibromo-16,17-dimethoxy-.Vat Green 2 should keep dry at low temperature, and the warehouse must be ventilation.
Physical properties about Vat Green 2 are: (1)ACD/LogP: 10.299; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.30; (4)ACD/LogD (pH 7.4): 10.30; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 9544371.00; (8)ACD/KOC (pH 7.4): 9544371.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.859; (13)Molar Refractivity: 174.391 cm3; (14)Molar Volume: 387.262 cm3; (15)Polarizability: 69.134 10-24 cm3; (16)Surface Tension: 76.2559967041016 dyne/cm; (17)Density: 1.741 g/cm3;
You can still convert the following datas into molecular structure:
(1)SMILES:Brc4cc9c3c(cc(OC)c2c1c(OC)c(Br)c7c5c1c(c4c23)ccc5C(=O)c6ccccc67)c8ccccc8C9=O;
(2)InChI:InChI=1S/C36H18Br2O4/c1-41-24-14-21-15-7-3-5-9-17(15)35(40)22-13-23(37)26-19-11-12-20-28-27(19)32(30(24)31(26)25(21)22)36(42-2)33(38)29(28)16-8-4-6-10-18(16)34(20)39/h3-14H,1-2H3;
(3)InChIKey:WRXJEOCPOOEWII-UHFFFAOYSA-N;