Product Description

ProductRose Bengal
CAS24545-87-7
FormulaC20H4Cl4I4O5.2K

Typical Product Specifications

SMILESc1c2c(c-3cc(c(=O)c(c3oc2c(c(c1I)[O-])I)I)I)c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)[O-].[K+].[K+]
Molecular weight394.42
EINECS201-501-9
SMILESc12c3c(O[C@H](C3)C(=C)C)ccc1C(=O)[C@@H]1[C@H](O2)COc2c1cc(c(c2)OC)OC
InChI1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
Water solubility0.2 mg/L
log P (octanol-water)4.1
Atmospheric OH Rate Constant3.29E-10 cm3/molecule-sec
Henry's Law Constant1.12E-13 atm-m3/mole
Melting Point176 ° C
Molecular weight394.42
EINECS201-501-9
SMILESc12c3c(O[C@H](C3)C(=C)C)ccc1C(=O)[C@@H]1[C@H](O2)COc2c1cc(c(c2)OC)OC
InChI1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
Water solubility0.2 mg/L
log P (octanol-water)4.1
Atmospheric OH Rate Constant3.29E-10 cm3/molecule-sec
Henry's Law Constant1.12E-13 atm-m3/mole
Melting Point176 ° C
Molecular weight394.42
EINECS201-501-9
SMILESc12c3c(O[C@H](C3)C(=C)C)ccc1C(=O)[C@@H]1[C@H](O2)COc2c1cc(c(c2)OC)OC
InChI1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
Water solubility0.2 mg/L
log P (octanol-water)4.1
Atmospheric OH Rate Constant3.29E-10 cm3/molecule-sec
Henry's Law Constant1.12E-13 atm-m3/mole
Melting Point176 ° C
ClassSpecialty Chemicals
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