50585-41-6
2,3,7,8-TETRABROMODIBENZO-P-DIOXIN
Name
2,3,7,8-TETRABROMODIBENZO-P-DIOXIN
Formula
C12 H4 Br4 O2
MolWeight
499.778
1Identification
【Name】
2,3,7,8-TETRABROMODIBENZO-P-DIOXIN
【CAS】
【MDL】
MFCD00869860
【English Synonyms】
【Formula】
C12 H4 Br4 O2
【MolWeight】
499.778
【Inchi】
InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
【InChIKey】
InChIKey=JZLQUWSWOJPCAK-UHFFFAOYSA-N
【SMILES】
c1c2c(cc(c1Br)Br)Oc3cc(c(cc3O2)Br)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,7,8-TETRABROMODIBENZO-P-DIOXIN.cml
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