70210-21-8
REACTIVE ORANGE 5
Name
REACTIVE ORANGE 5
Formula
C26 H17 Cl N7 O10 S3 . 3 Na
MolWeight
788.08
1Identification
【Name】
REACTIVE ORANGE 5
【CAS】
【MDL】
MFCD00468011
【English Synonyms】
【Formula】
C26 H17 Cl N7 O10 S3 . 3 Na
【MolWeight】
788.08
【Inchi】
InChI=1S/C26H20ClN7O10S3.3Na/c1-34(26-30-24(27)29-25(31-26)28-15-5-4-6-17(13-15)45(36,37)38)16-9-10-18-14(11-16)12-21(47(42,43)44)22(23(18)35)33-32-19-7-2-3-8-20(19)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3/b33-32+;;;
【InChIKey】
InChIKey=MBAYVHBJJXOOIY-KGMXHPFTSA-K
【SMILES】
CN(c1ccc2c(c1)cc(c(c2O)/N=N/c3ccccc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4nc(nc(n4)Cl)Nc5cccc(c5)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:17
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
REACTIVE ORANGE 5.cml
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Catalog No:S467545-1G 1G
Country/Region:United States
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http://www.sigma-aldrich.com
Boc Sciences
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https://www.bocsci.com/
AK Scientific, Inc.
Catalog No:T676 nullnull
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Alfa Chemistry
Catalog No:ATM70210218 up to kgs
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