isoquinoline-5,8-dione

Names

[ CAS No. ]:
50-46-4

[ Name ]:
isoquinoline-5,8-dione

[Synonym ]:
5,8-Dihydroisochinolin-5,8-dion
Caulibugulone A
5,8-ISOQUINOLINEDIONE
5,8-Isochinolindion
5,8-isoquinolinquinone

Chemical & Physical Properties

[ Density]:
1.374g/cm3

[ Boiling Point ]:
333.6ºC at 760 mmHg

[ Molecular Formula ]:
C₉H₅NO₂

[ Molecular Weight ]:
159.14100

[ Flash Point ]:
159.9ºC

[ Exact Mass ]:
159.03200

[ PSA ]:
47.03000

[ LogP ]:
1.01680

[ Index of Refraction ]:
1.626

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX0505000

CHEMICAL NAME :: 5,8-Isoquinolinedione

CAS REGISTRY NUMBER :: 50-46-4

BEILSTEIN REFERENCE NO. :: 1525151

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H5-N-O2

MOLECULAR WEIGHT :: 159.15

WISWESSER LINE NOTATION :: T66 BV EV HNJ

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 :: 25 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

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: 7,801,1964

Safety Information

[ HS Code ]:
2933499090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%