6-(2-fluorophenyl)-8-methyl-2,5,9-triazabicyclo[5.3.0]deca-5,7,10-trien-3-one

Modify Date: 2024-02-22 16:58:01

6-(2-fluorophenyl)-8-methyl-2,5,9-triazabicyclo[5.3.0]deca-5,7,10-trien-3-one Structure
6-(2-fluorophenyl)-8-methyl-2,5,9-triazabicyclo[5.3.0]deca-5,7,10-trien-3-one structure
Common Name 6-(2-fluorophenyl)-8-methyl-2,5,9-triazabicyclo[5.3.0]deca-5,7,10-trien-3-one
CAS Number 57435-90-2 Molecular Weight 257.26300
Density 1.38g/cm3 Boiling Point 472.3ºC at 760 mmHg
Molecular Formula C14H12FN3O Melting Point N/A
MSDS N/A Flash Point 239.4ºC

 Names

Name 5-(2-fluorophenyl)-6-methyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one

 Chemical & Physical Properties

Density 1.38g/cm3
Boiling Point 472.3ºC at 760 mmHg
Molecular Formula C14H12FN3O
Molecular Weight 257.26300
Flash Point 239.4ºC
Exact Mass 257.09600
PSA 57.25000
LogP 1.82530
Index of Refraction 1.665

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY8566000
CHEMICAL NAME :
Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-5-(2-fluorophenyl)-6-methyl-
CAS REGISTRY NUMBER :
57435-90-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H12-F-N3-O
MOLECULAR WEIGHT :
257.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,217,1976

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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