3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one

Modify Date: 2024-01-17 15:41:41

3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one structure	Common Name	3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
	CAS Number	28740-77-4	Molecular Weight	188.22600
	Density	1.29g/cm3	Boiling Point	479.7ºC at 760mmHg
	Molecular Formula	C₁₁H₁₂N₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	243.9ºC

Name	3,4,6,7-tetrahydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-one

Density	1.29g/cm3
Boiling Point	479.7ºC at 760mmHg
Molecular Formula	C₁₁H₁₂N₂O
Molecular Weight	188.22600
Flash Point	243.9ºC
Exact Mass	188.09500
PSA	35.83000
LogP	0.86790
Vapour Pressure	2.31E-09mmHg at 25°C
Index of Refraction	1.657

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY8540000

CHEMICAL NAME :: Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one, 3,4,6,7-tetrahydro-

CAS REGISTRY NUMBER :: 28740-77-4

BEILSTEIN REFERENCE NO. :: 0011613

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H12-N2-O

MOLECULAR WEIGHT :: 188.25

WISWESSER LINE NOTATION :: T567 1A M BN JVMT&TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,827,1970

HS Code	2933990090

1,2,4,5-tetrahy...

CAS#:5817-85-6

~66%

3,4,6,7-Tetrahy...

CAS#:28740-77-4

3,4,6,7-tetrahy...

CAS#:28740-75-2

Literature: ELI LILLY AND COMPANY Patent: WO2003/76442 A1, 2003 ; Location in patent: Page/Page column 86 ; WO 03/076442 A1

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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3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

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