![4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT (CAS: 51858-17-4) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0606065.png "4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT chemical structure")
4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT
Catalog No: FT-0606065
CAS No: 51858-17-4
- Chemical Name: 4,4'-BIS[3-CARBOXY-5-OXO-1-(4-SULFOPHENYL)-2-PYRAZOLIN-4-YL]PENTAMETHINE OXONOLE DIPOTASSIUM SALT
- Molecular Formula: C25H16K2N4O12S2
- Molecular Weight: 706.7
- InChI Key: JCGBFZMAOUKSPX-SAJZWCDJSA-L
- InChI: InChI=1S/C25H18N4O12S2.2K/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;/h1-13,26H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b3-1+,4-2+,19-5-;;
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 706.74100 |
| Density: | N/A |
| CAS: | 51858-17-4 |
| Bolling_Point: | N/A |
| Product_Name: | 4,4'-bis[3-carboxy-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-yl]pentamethine oxonole dipotassium salt |
| Melting_Point: | 250ºC (dec.)(lit.) |
| Flash_Point: | 113 °C |
| MF: | C25H16K2N4O12S2 |
| Computational_Chemistry: | ['1 . XlogP 未确定 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 14 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 254 ', '7 . Heavy Atom Count 45 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1550 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 3 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 3'] |
|---|---|
| LogP: | 0.74550 |
| Melting_Point: | 250ºC (dec.)(lit.) |
| FW: | 706.74100 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）250 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，03mm hg）1Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）230 ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| PSA: | 276.48000 |
| MF: | C25H16K2N4O12S2 |
| Exact_Mass: | 705.94800 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard_Codes: | Xi |
| Risk_Statements(EU): | 36/37/38 |
| Safety_Statements: | 26-36 |
| Symbol: | Warning |
| Flash_Point_(F): | 235.4 °F |
| RIDADR: | NONH for all modes of transport |
| Warning_Statement: | P261-P305 + P351 + P338 |
| Flash_Point_(C): | 113 °C |
