3,3'-Diethylthiatricarbocyanine iodide

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Names

[ CAS No. ]:
3071-70-3

[ Name ]:
3,3'-Diethylthiatricarbocyanine iodide

[Synonym ]:
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

Chemical & Physical Properties

[ Melting Point ]:
211ºC (dec.)(lit.)

[ Molecular Formula ]:
C25H25IN2S2

[ Molecular Weight ]:
544.51400

[ Exact Mass ]:
544.05000

[ PSA ]:
65.29000

[ LogP ]:
3.13620

MSDS

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 Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26;S36/S37

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

[ RTECS ]:
DL7045000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

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Related Compounds

  • 3,3'-DIETHYLTHIATRICARBOCYANINE IODIDE
  • 3,3'-diethylthiatricarbocyanine
  • 3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE
  • 3 3'-DIBUTYLTHIACARBOCYANINE IODIDE
  • 3,3'-DIHEPTYLTHIACARBOCYANINE IODIDE
  • 3 3'-DIBUTYLOXACARBOCYANINE IODIDE FOR&
  • (4-(cyclopropylsulfonyl)piperazin-1-yl)(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanone
  • 3-(2-(4-(cyclopropylsulfonyl)piperazin-1-yl)-2-oxoethyl)quinazolin-4(3H)-one
  • (4-(Cyclopropylsulfonyl)piperazin-1-yl)(2-methoxypyridin-3-yl)methanone
  • N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((5-(p-tolyl)-1-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)thio)acetamide
  • (4-(Cyclopropylsulfonyl)piperazin-1-yl)(2-methoxyphenyl)methanone
  • Benzo[d][1,3]dioxol-5-yl(4-(cyclopropylsulfonyl)piperazin-1-yl)methanone
  • (4-(Cyclopropylsulfonyl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
  • (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(4-(cyclopropylsulfonyl)piperazin-1-yl)prop-2-en-1-one
  • 1-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-2-(2-fluorophenoxy)ethanone
  • 1-(4-(Cyclopropylsulfonyl)piperazin-1-yl)-2-(4-fluorophenyl)ethanone