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| CAS No.: | 219714-96-2 |
|---|---|
| Name: | Penoxsulam |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C16H14F5N5O5S |
| Molecular Weight: | 483.376 |
| Synonyms: | DASH 001;Granite;Penoxsulam;Ricer 240SC; |
| EINECS: | 606-869-8 |
| Density: | 1.65g/cm3 |
| Melting Point: | 223-224° |
| Hazard Symbols: | N |
| Risk Codes: | 50/53 |
| Safety: | 61 |
| PSA: | 125.32000 |
| LogP: | 3.75880 |
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Specification
The Benzenesulfonamide,2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)-, with CAS registry number 219714-96-2, has the systematic name of 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide. Besides this, it is also called Penoxsulam. This chemical should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C16H14F5N5O5S.
Physical properties of Benzenesulfonamide,2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 125.32 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 98.246 cm3; (15)Molar Volume: 291.914 cm3; (16)Polarizability: 38.948×10-24cm3; (17)Surface Tension: 46.008 dyne/cm; (18)Density: 1.656 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2
(2)InChI: InChI=1/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
(3)InChIKey: SYJGKVOENHZYMQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
(5)Std. InChIKey: SYJGKVOENHZYMQ-UHFFFAOYSA-N