CAS 905-97-5|3,3'-Diethylthiacarbocyanine iodide

Introduction:Basic information about CAS 905-97-5|3,3'-Diethylthiacarbocyanine iodide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3,3'-Diethylthiacarbocyanine iodide
CAS Number905-97-5Molecular Weight492.43900
Density/Boiling Point/
Molecular FormulaC21H21IN2S2Melting Point268-270ºC (dec.)(lit.)
MSDSChineseUSAFlash Point/
Symbol
GHS07
Signal WordWarning

Names

Name3,3′-Diethylthiacarbocyanine iodide
SynonymMore Synonyms

3,3'-Diethylthiacarbocyanine iodide BiologicalActivity

Description3,3-Diethylthiacarbocyanine iodide is a cyanine dye. 3,3-Diethylthiacarbocyanine iodide can be used in photochemical methods[1][2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. NK Petrov, et al. The effect of cucurbit[7]uril on photophysical properties of aqueous solution of 3,3′-diethylthiacarbocyanine iodide dye. Chemical Physics Letters. 2009, 96-99.

[2]. M Y. Anikovsky, et al. Complex formation between 3;3´-diethylthiacarbocyanine iodide and DNA and its investigation in aqueous solution. International Journal of Photoenergy. 1999.

Chemical & Physical Properties

Melting Point268-270ºC (dec.)(lit.)
Molecular FormulaC21H21IN2S2
Molecular Weight492.43900
Exact Mass492.01900
PSA65.29000
LogP2.02380
InChIKeyVZBILKJHDPEENF-UHFFFAOYSA-M
SMILESCCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7061500
CHEMICAL NAME :
Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-prop enyl)-, iodide
CAS REGISTRY NUMBER :
905-97-5
LAST UPDATED :
199007
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H21-N2-S2.I
MOLECULAR WEIGHT :
492.46
WISWESSER LINE NOTATION :
T56 BNYSJ B2 CU2U1- CT56 BK DSJ B2 &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,897,1967

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety Phrases26-36
RIDADRNONH for all modes of transport
WGK Germany3
RTECSDL7061500

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Synonyms

3,3'-diethylthiacarbocyanine iodide
MFCD00011956
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