3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
Names
[ CAS No. ]:
28740-77-4
[ Name ]:
3,4,6,7-Tetrahydropyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2H)-one
Chemical & Physical Properties
[ 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
Toxicological Information
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
Safety Information
[ HS Code ]:
2933990090
Synthetic Route
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%