3,3'-Diethylthiatricarbocyanine perchlorate Structure

3,3'-Diethylthiatricarbocyanine perchlorate

Chemical Properties

Melting point 184 °C (dec.)(lit.)
Density  1.1561 (rough estimate)
refractive index  1.6100 (estimate)
λmax 760 nm
InChI 1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PZQHZVAROUTGBU-UHFFFAOYSA-M
SMILES [O-]Cl(=O)(=O)=O.CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c3sc4ccccc4[n+]3CC
EPA Substance Registry System Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl]-, perchlorate (22268-66-2)
UNSPSC Code 12352103
NACRES NA.23

Safety

Symbol(GHS) Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
Signal wordWarning
Hazard statements H301-H315-H319-H335
Precautionary statements P261-P305+P351+P338-P280a-P301+P310a-P405-P501a
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25-36-26
RIDADR  2811
WGK Germany  3
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 2

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