6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole

Modify Date: 2025-12-02 22:05:39

6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole Structure
6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole structure
Common Name 6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole
CAS Number 80985-63-3 Molecular Weight 257.67800
Density 1.71g/cm3 Boiling Point 633.6ºC at 760 mmHg
Molecular Formula C12H8ClN5 Melting Point N/A
MSDS N/A Flash Point 337ºC

 Names

Name 6-chloro-3-methyl-5h-[1,2,4]triazolo[4',3':2,3]pyridazino[4,5-b]indole

 Chemical & Physical Properties

Density 1.71g/cm3
Boiling Point 633.6ºC at 760 mmHg
Molecular Formula C12H8ClN5
Molecular Weight 257.67800
Flash Point 337ºC
Exact Mass 257.04700
PSA 58.87000
LogP 2.72060
Index of Refraction 1.873
InChIKey URUXTJNCFFAFET-UHFFFAOYSA-N
SMILES Cc1nnc2c3[nH]c4ccccc4c3c(Cl)nn12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5495800
CAS REGISTRY NUMBER :
80985-63-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H8-Cl-N5
MOLECULAR WEIGHT :
257.70

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,1406,1982

 Synthetic Route

~%

6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole Structure

6-Chloro-3-meth...

CAS#:80985-63-3

Literature: Monge-Vega; Aldana; Ferandez-Alvarez Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 8 p. 1533 - 1536

~92%

6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole Structure

6-Chloro-3-meth...

CAS#:80985-63-3

Literature: Monge-Vega; Aldana; Ferandez-Alvarez Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 8 p. 1533 - 1536

~%

6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole Structure

6-Chloro-3-meth...

CAS#:80985-63-3

Literature: Monge-Vega; Aldana; Ferandez-Alvarez Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 8 p. 1533 - 1536

~%

6-Chloro-3-methyl-11H-1,2,4-triazolo(4,3:2,3)pyridazino(4,5-b)indole Structure

6-Chloro-3-meth...

CAS#:80985-63-3

Literature: Monge-Vega; Aldana; Ferandez-Alvarez Journal of Heterocyclic Chemistry, 1981 , vol. 18, # 8 p. 1533 - 1536
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