CAS 4727-50-8|Quinolinium,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]-, iodide (1:1)

Introduction：Basic information about CAS 4727-50-8|Quinolinium,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]-, iodide (1:1), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	Quinolinium,1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Number	4727-50-8	Molecular Weight	480.384
Density	/	Boiling Point	/
Molecular Formula	C₂₅H₂₅IN₂	Melting Point	250.5-253 °C(lit.)
MSDS	ChineseUSA	Flash Point	/
Symbol	GHS06	Signal Word	Danger

Names

Name	cryptocyanin
Synonym	More Synonyms

Chemical & Physical Properties

Melting Point	250.5-253 °C(lit.)
Molecular Formula	C₂₅H₂₅IN₂
Molecular Weight	480.384
Exact Mass	480.106232
PSA	8.81000
LogP	1.90080
Index of Refraction	1.664
InChIKey	CEJANLKHJMMNQB-UHFFFAOYSA-M
SMILES	CCN1C=CC(=CC=Cc2cc[n+](CC)c3ccccc23)c2ccccc21.[I-]
Storage condition	0-6°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VC3676880

CHEMICAL NAME :: Quinolinium, 1-ethyl-4-(3-(1-ethyl-4(1H)-quinolylidene)propenyl)-, iodide

CAS REGISTRY NUMBER :: 4727-50-8

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C25-H25-N2.I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555396

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1785 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4417 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H300-H315-H319-H335
Precautionary Statements	P261-P264-P301 + P310-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	T+: Very toxic;
Risk Phrases	R28
Safety Phrases	S26-S28-S36/37-S45
RIDADR	UN 2811 6.1/PG 2
WGK Germany	3
RTECS	VC3676880
Packaging Group	II
Hazard Class	6.1(a)
HS Code	2933499090

Customs

HS Code	2933499090
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles3

Wearable Organic Optoelectronic Sensors for Medicine.

Adv. Mater. 27 , 7638-44, (2015)

Organic optoelectronic devices that can be used to make compact, wearable sensors for medicine and sports are shown and two examples are given: a tissue-oxygenation sensor and a muscle-contraction sen...

Tracking ultrafast excited-state bond-twisting motion in solution close to the Franck-Condon point.

J. Phys. Chem. B 111(21) , 6034-41, (2007)

Applying optimal control to photoinduced trans-cis isomerization in condensed phase, the dynamics of bond-twisting motion of 1,1'-diethyl-4,4'-cyanine in methanol and propanol is revealed. The shape o...

In vitro photodynamic activity of kryptocyanine.

Photochem. Photobiol. 52(4) , 735-40, (1990)

The photophysical properties of 1,1'-diethyl-4,4'-carbocyanine chloride (kryptocyanine) have been measured in methanol solution and for the dye bound to human serum albumin, incorporated in neutral mi...

Synonyms

1-Ethyl-4-[(1Z,3Z)-3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]quinolinium iodide

Quinolinium, 1-ethyl-4-[(1Z,3Z)-3-(1-ethyl-4(1H)-quinolinylidene)-1-propen-1-yl]-, iodide (1:1)

1,1'-DIETHYL-4,4'-CARBOCYANINE IODIDE

Quinolinium, 1-ethyl-4-[3- (1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, iodide

1-Ethyl-4-[(1E,3E)-3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide

Cryptocyanine

Quinolinium, 1-ethyl-4-[3- (1-ethyl-4(1H)-quinolylidene)propenyl]-, iodide

EINECS 225-224-8

MFCD00011970

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