7585-41-3
PIGMENT RED 48:1
Name
PIGMENT RED 48:1
Formula
C18 H11 Ba Cl N2 O6 S
MolWeight
556.142
1Identification
【Name】
PIGMENT RED 48:1
【CAS】
【MDL】
MFCD01747680
【English Synonyms】
【Formula】
C18 H11 Ba Cl N2 O6 S
【MolWeight】
556.142
【Inchi】
InChI=1S/C18H13ClN2O6S.Ba/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-20+;
【InChIKey】
InChIKey=BNZLJNRQXPJPJY-ANVLNOONSA-L
【SMILES】
Cc1cc(c(cc1Cl)/N=N/c2c3ccccc3cc(c2O)C(=O)O[Ba+])S(=O)(=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIGMENT RED 48:1.cml
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