50-46-4

50-46-4 structure

50-46-4 structure

Name: isoquinoline-5,8-dione
Chemical Name: isoquinoline-5,8-dione
CAS Number: 50-46-4
Molecular Formula: C₉H₅NO₂
Molecular Weight: 159.14100
Catalog: Flavors and spices Natural spice
Create Date: 2016-07-04 00:43:19
Modify Date: 2024-01-09 11:55:00

Name	isoquinoline-5,8-dione
Synonyms	5,8-Dihydroisochinolin-5,8-dion Caulibugulone A 5,8-ISOQUINOLINEDIONE 5,8-Isochinolindion 5,8-isoquinolinquinone

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

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

HS Code	2933499090

Precursor 10
2439-04-5 1127-49-7 55087-23-5 607-32-9
156901-61-0 1125-60-6 119-65-3 93-02-7
54879-66-2 54879-79-7
DownStream 4
46492-08-4 118680-81-2 662167-15-9 90381-62-7

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%