CAS No.4727-50-8,1,1'-DIETHYL-4,4'-CARBOCYANINE IODIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4727-50-8
Name:	1,1'-DIETHYL-4,4'-CARBOCYANINE IODIDE
Article Data:	7

Formula:	C25H25 N2 . I
Molecular Weight:	480.391
Synonyms:	1-Ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]quinoliniumiodide (6CI,7CI); Quinolinium,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, iodide (9CI);Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]-, iodide(8CI); 1,1'-Diethyl-4,4'-carbocyanine iodide;1,1'-Diethyl-4,4'-quinocarbocyanine iodide; 1,1'-Diethylquino-(4)-carbocyanineiodide; 1-Ethyl-4-[3-(1-ethyl-4(1H)quinolinylidene)-1-propenyl]quinoliniumiodide; 1-Ethyl-4-[3-[1-ethyl-4(1H)-quinolylidene]-1-propenyl]quinoliniumiodide; Cryptocyanin; Cryptocyanine; Cryptocyanine O.A. 2; Cryptocyanineiodide; Eastman 1334; Kryptocyanin; Kryptocyanine iodide; NK 5; NK 5 (dye)
EINECS:	225-224-8
Density:	g/cm³
Melting Point:	250.5-253 °C(lit.)
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Appearance:	dark green fine crystalline powder
Hazard Symbols:	T+
Risk Codes:	28-36/37/38
Safety:	A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NO_x and I⁻.
Transport Information:	UN 2811 6
PSA:	8.81000
LogP:	1.90080

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Chemistry

IUPAC Name: 1-Ethyl-4-[3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide
CAS: 4727-50-8
EINECS: 225-224-8
Product Categories: Anthocyanins ; Quinolinecarboxylic Acids ,etc.; Quinolines .
Following is the Molecular Structure of Kryptocyanine iodide (4727-50-8):

SMILES: [I-].c4ccc1c(C(\C=C/N1CC)=CC=Cc3c2ccccc2[n+](cc3)CC)c4
InChI: InChI=1/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey: CEJANLKHJMMNQB-REWHXWOFAG
Std.InChI: InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
Std.InChIKey: CEJANLKHJMMNQB-UHFFFAOYSA-M
Molecular Formula: C₂₅H₂₅IN₂
Molecular Weight: 480.38
Melting Point: 250.5-253℃(lit.)

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1785ug/kg (1.785mg/kg)		National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse	LD50	oral	25mg/kg (25mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0555396,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: T+ Very Toxic.
Risk Statements: 28-36/37/38
R28: Very Toxic if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-28-36/37-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
RIDADR: UN 2811 6.1/PG 2
WGK: Germany 3
RTECS: VC3676880
HazardClass: 6.1(a)
PackingGroup: II
A poison by intraperitoneal route.

Specification

Kryptocyanine iodide (4727-50-8),which also can be called for 1-Ethyl-4-[3-(1-ethyl-1h-quinolin-4-ylidene)-propenyl]-quinolinium iodide ; 1,1'-Diethyl-4,4'-carbocyanine iodide ; 1,1'-Diethyl-4,4'-carbocyanin iodide ; Kryptocyanine ; Cryptocyanine ; Cryptocyanine kryptocyanine ; Rubrocyanin ; 1,1'-Diethyl-4,4'-quinocarbocyanineiodide .When heated to decomposition it emits toxic vapors of NO_x and I⁻.The appropriate tmperature of Kryptocyanine iodide (4727-50-8) is 0℃-6℃.