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5486-84-0
FAST BLUE BB SALT
Name
FAST BLUE BB SALT
Formula
2 C17 H18 N3 O3 . 2 Cl . Cl2 Zn
MolWeight
831.896
1Identification
【Name】
FAST BLUE BB SALT
【CAS】
【MDL】
MFCD00074765
【English Synonyms】
【Formula】
2 C17 H18 N3 O3 . 2 Cl . Cl2 Zn
【MolWeight】
831.896
【Inchi】
InChI=1S/2C17H17N3O3.4ClH.Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h2*5-11H,3-4H2,1-2H3;4*1H;/q;;;;;;+2/p-2
【InChIKey】
InChIKey=CMFRFQODFZBKTI-UHFFFAOYSA-L
【SMILES】
CCOc1cc(c(cc1[N+]#N)OCC)NC(=O)c2ccccc2.CCOc1cc(c(cc1[N+]#N)OCC)NC(=O)c2ccccc2.[Cl-].[Cl-].Cl[Zn]Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :FAST BLUE BB SALT
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【UN Code】
2811
【WGK Germany】
3
4CML File
FAST BLUE BB SALT.cml
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