[(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride

Modify Date: 2024-02-19 01:40:44

[(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride Structure
[(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride structure
 Common Name [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride
CAS Number 68263-38-7 Molecular Weight 400.79300
Density N/A Boiling Point 484.1ºC at 760 mmHg
Molecular Formula C19H20Cl3NS Melting Point N/A
MSDS N/A Flash Point 246.6ºC

 Names

Name [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride

 Chemical & Physical Properties

Boiling Point 484.1ºC at 760 mmHg
Molecular Formula C19H20Cl3NS
Molecular Weight 400.79300
Flash Point 246.6ºC
Exact Mass 399.03800
PSA 28.54000
LogP 6.78450
InChIKey UWJILWOKHOPUBL-DQEXCLQCSA-N
SMILES C[NH+](C)CCC=C1c2cc(Cl)ccc2CSc2ccc(Cl)cc21.[Cl-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ2790000
CHEMICAL NAME :
Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2,9-dichloro-N,N-dimethyl-, hydrochloride
CAS REGISTRY NUMBER :
68263-38-7
LAST UPDATED :
198606
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H19-Cl2-N-S.Cl-H
MOLECULAR WEIGHT :
400.81
WISWESSER LINE NOTATION :
T C676 BY IS JHJ BU3N1&1 EG NG &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - BP elevation not characterized in autonomic section Lungs, Thorax, or Respiration - bronchiolar dilation
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 13,1039,1963
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Chemsrc provides CAS#:68263-38-7 MSDS, density, melting point, boiling point, structure, etc. Its name is [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride>> amp version: [(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium,chloride

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