Bis(2,4,5-trichloro-6-carbopentoxyphenyl Oxalate)
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Product Description
Product
Bis(2,4,5-trichloro-6-carbopentoxyphenyl Oxalate)
CAS
30431-54-0
Formula
C26H24Cl6O8
Typical Product Specifications
Molecular weight
677.18
EINECS
250-195-3
SMILES
O=C(Oc1c(cc(c(Cl)c1C(=O)OCCCCC)Cl)Cl)C(=O)Oc1c(cc(c(Cl)c1C(=O)OCCCCC)Cl)Cl
InChI
TZZLVFUOAYMTHA-UHFFFAOYSA-N
InChIKey
1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
Molecular weight
439.21
EINECS
205-037-8
SMILES
c1(c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
InChIKey
CBCIHIVRDWLAME-UHFFFAOYSA-N
Henry's Law Constant
2.33E-17 atm-m3/mole
log P (octanol-water)
3.350
Atmospheric OH Rate Constant
4.26E-15 cm3/molecule-sec
Vapor Pressure
2.89E-14 mm Hg
Water solubility
60 mg/L
Melting Point
244 dec ° C
Class
Bis(2,4,5-trichloro-6-carbopentoxyphenyl Oxalate)
Product Description
Product
Bis(2,4,5-trichloro-6-carbopentoxyphenyl Oxalate)
CAS
30431-54-0
Formula
C26H24Cl6O8
Typical Product Specifications
Molecular weight
677.18
EINECS
250-195-3
SMILES
O=C(Oc1c(cc(c(Cl)c1C(=O)OCCCCC)Cl)Cl)C(=O)Oc1c(cc(c(Cl)c1C(=O)OCCCCC)Cl)Cl
InChI
TZZLVFUOAYMTHA-UHFFFAOYSA-N
InChIKey
1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
Molecular weight
439.21
EINECS
205-037-8
SMILES
c1(c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
InChIKey
CBCIHIVRDWLAME-UHFFFAOYSA-N
Henry's Law Constant
2.33E-17 atm-m3/mole
log P (octanol-water)
3.350
Atmospheric OH Rate Constant
4.26E-15 cm3/molecule-sec
Vapor Pressure
2.89E-14 mm Hg
Water solubility
60 mg/L
Melting Point
244 dec ° C
Class
