CAS 3071-70-3|3,3'-Diethylthiatricarbocyanine iodide

Introduction:Basic information about CAS 3071-70-3|3,3'-Diethylthiatricarbocyanine iodide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3,3'-Diethylthiatricarbocyanine iodide
CAS Number3071-70-3Molecular Weight544.51400
Density/Boiling Point/
Molecular FormulaC25H25IN2S2Melting Point211ºC (dec.)(lit.)
MSDSChineseUSAFlash Point/
Symbol
GHS07
Signal WordWarning

Names

Name3,3'-diethylthiatricarbocyanine iodide
SynonymMore Synonyms

3,3'-Diethylthiatricarbocyanine iodide BiologicalActivity

Description3,3′-Diethylthiatricarbocyanine iodide is an infrared photographic sensitizing dye. 3,3′-Diethylthiatricarbocyanine iodide is a highly sensitive chiroptical reporter of DNA helicity and sequence[1][2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Choi JK, et al. 3,3'-diethylthiatricarbocyanine iodide: a highly sensitive chiroptical reporter of DNA helicity and sequence. Int J Mol Sci. 2011;12(11):8052-62.

[2]. J. A. Potenza, et al. Crystal and molecular structure of 3,3'-diethylthiatricarbocyanine iodide, an infrared photographic sensitizing dye. Acta Cryst. (1978). B34, 193-199.

Chemical & Physical Properties

Melting Point211ºC (dec.)(lit.)
Molecular FormulaC25H25IN2S2
Molecular Weight544.51400
Exact Mass544.05000
PSA65.29000
LogP3.13620
InChIKeyOYVFJKVYVDYPFV-UHFFFAOYSA-M
SMILESCCN1C(=CC=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL7045000
CHEMICAL NAME :
Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5- heptatrienyl)-, iodide
CAS REGISTRY NUMBER :
3071-70-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C25-H25-N2-S2.I
MOLECULAR WEIGHT :
544.54
WISWESSER LINE NOTATION :
T56 BNYSJ B2 CU2U2U2U1- 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 :
100 ug/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 StatementsH302-H312-H315-H319-H332-H335
Precautionary StatementsP261-P280-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn: Harmful;
Risk PhrasesR20/21/22;R36/37/38
Safety PhrasesS26;S36/S37
RIDADRUN 2811
WGK Germany3
RTECSDL7045000
Packaging GroupIII
Hazard Class6.1(b)

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Synonyms

3,3'-diethyl-2,2'-thiadicarbocyanine iodide
3-Ethyl-2-[7-[3-ethyl-2(3H)-benzothiazolylidene]-1,3,5-heptatrienyl]benzothiazolium Iodide
DTTC IODIDE
3,3'-Diethylthiatricarbocyanine Iodide
THIATRICARBOCYANINE IODIDE,3,3'-DIETHYL
oliumiodide
DTTCI
NK-126
AURORA KA-295
MFCD00041994
3,3'-diethylthiatricarbocyanine
diethylthiatricarbocyanine iodide
3,3'-DIETHYL-2,2'-THIATRICARBOCYANINE IODIDE
1,7-bis-(3-ethyl-benzothiazol-2-yl)-heptamethinium,iodide
DTTC
EINECS 221-342-9
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