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

Modify Date: 2025-10-25 18:26:23

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

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

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
InChIKey	YJLHTNHNYKJEJX-UHFFFAOYSA-N
SMILES	Cc1[nH]cc2c1C(c1ccccc1F)=NCC(=O)N2

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

HS Code	2933990090

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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