isoquinoline-5,8-dione

Modify Date: 2024-01-09 11:55:00

isoquinoline-5,8-dione Structure
isoquinoline-5,8-dione structure
Common Name isoquinoline-5,8-dione
CAS Number 50-46-4 Molecular Weight 159.14100
Density 1.374g/cm3 Boiling Point 333.6ºC at 760 mmHg
Molecular Formula C9H5NO2 Melting Point N/A
MSDS N/A Flash Point 159.9ºC

 Names

Name isoquinoline-5,8-dione
Synonym More Synonyms

 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

 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%

 Synonyms

5,8-Dihydroisochinolin-5,8-dion
Caulibugulone A
5,8-ISOQUINOLINEDIONE
5,8-Isochinolindion
5,8-isoquinolinquinone