we 964

Modify Date: 2025-09-18 19:24:50

we 964 Structure
we 964 structure
Common Name we 964
CAS Number 62551-41-1 Molecular Weight 409.68800
Density 1.87g/cm3 Boiling Point 608.9ºC at 760 mmHg
Molecular Formula C15H10BrClN4OS Melting Point N/A
MSDS N/A Flash Point 322.1ºC

 Names

Name we 964

 Chemical & Physical Properties

Density 1.87g/cm3
Boiling Point 608.9ºC at 760 mmHg
Molecular Formula C15H10BrClN4OS
Molecular Weight 409.68800
Flash Point 322.1ºC
Exact Mass 407.94500
PSA 91.54000
LogP 3.02360
Index of Refraction 1.823
InChIKey SCENUYIFDLIXIB-UHFFFAOYSA-N
SMILES OCc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ9103000
CHEMICAL NAME :
6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine- 9-methanol, 2-bromo-4-(2-chlorophenyl)-
CAS REGISTRY NUMBER :
62551-41-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H10-Br-Cl-N4-O-S
MOLECULAR WEIGHT :
409.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 36,587,1986

 Synthetic Route

~65%

we 964 Structure

we 964

CAS#:62551-41-1

Literature: Weber; Sirrenberg; Spohn; Daniel Arzneimittel-Forschung/Drug Research, 1986 , vol. 36, # 3 A p. 518 - 521

~%

we 964 Structure

we 964

CAS#:62551-41-1

Literature: Senda; Kishimoto; Sakai; Nagakura; Igarashi Xenobiotica, 1997 , vol. 27, # 9 p. 913 - 922
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