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Name	3,3'-Diethyl-9-methylthiacarbocyanine iodide	EINECS	221-317-2
CAS No.	3065-79-0	Density	g/cm³
PSA	65.29000	LogP	2.41390
Solubility	N/A	Melting Point	290 ºC(dec.)(lit.)
Formula	C22H23 N2 S2 . I	Boiling Point	°Cat760mmHg
Molecular Weight	506.475	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I⁻, SO_x, and NO_x.	Risk Codes	20/21/22
Molecular Structure		Hazard Symbols	Xn
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

3,3'-Diethyl-9-methylthiacarbocyanine iodide Chemical Properties

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):

3,3'-Diethyl-9-methylthiacarbocyanine iodide Toxicity Data With Reference

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 .

3,3'-Diethyl-9-methylthiacarbocyanine iodide Consensus Reports

Reported in EPA TSCA Inventory.

3,3'-Diethyl-9-methylthiacarbocyanine iodide Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I⁻, SO_x, and NO_x.
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

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