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Basic Information
CAS No.: 3065-79-0
Name: 3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE
Molecular Structure:
Molecular Structure of 3065-79-0 (3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE)
Formula: C22H23 N2 S2 . I
Molecular Weight: 506.475
Synonyms: 3-Ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]benzothiazoliumiodide (6CI,7CI); Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide(9CI); Benzothiazolium,3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-, iodide(8CI); Thiacarbocyanine iodide, 3,3'-diethyl-9-methyl- (8CI);3,3'-Diethyl-9-methyl-2,2'-thiacarbocyanine iodide;3,3'-Diethyl-9-methylthiacarbocyanine iodide; Bis(3-ethyl-2-benzothiazole)-b-methyltrimethinecyanine iodide;NK 77; ST 656
EINECS: 221-317-2
Density: g/cm3
Melting Point: 290 ºC(dec.)(lit.)
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I−, SOx, and NOx.
PSA: 65.29000
LogP: 2.41390
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Chemistry

Molecular Formula: C22H23N2S2.I
Molecular Weight: 506.47
EINECS: 221-317-2
CAS Registry Number  3065-79-0
Melting Point: 290 °C (dec.)(lit.)
Appearance of 3,3'-Diethyl-9-methylthiacarbocyanine iodide (CAS NO.3065-79-0): brown powder
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole iodide
Synonyms: AURORA KA-293 ; 3-Ethyl-2-[3-(3-ethyl-2(3h)-benzothiazolinylidene)-2-methyl-1-propenyl] benzothiazolium iodide ; 3,3'-Diethyl-9-methylthiacarbocyanine iodide ; Benzothiazolium,3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-prop ; 2-[2-Methyl-3-(2,3-dihydro-3-ethylbenzothiazole-2-ylidene)-1-propenyl]-3-ethylbenzothiazole-3-ium·iodide
Following is the molecular structure of 3,3'-Diethyl-9-methylthiacarbocyanine iodide (CAS NO.3065-79-0):

Toxicity Data With Reference

1.    

ivn-mus LD50:3600 µg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03432 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I−, SOx, and NOx.
Safety Information of 3,3'-Diethyl-9-methylthiacarbocyanine iodide (CAS NO.3065-79-0):
Hazard Codes: Xn Harmful
Risk Statements: 20/21/22 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DL7047000