2-(2-oxopiperidin-3-yl)isoindole-1,3-dione

Modify Date: 2024-04-11 23:43:00

2-(2-oxopiperidin-3-yl)isoindole-1,3-dione Structure
2-(2-oxopiperidin-3-yl)isoindole-1,3-dione structure
Common Name 2-(2-oxopiperidin-3-yl)isoindole-1,3-dione
CAS Number 42472-96-8 Molecular Weight 244.24600
Density 1.393g/cm3 Boiling Point 490.9ºC at 760 mmHg
Molecular Formula C13H12N2O3 Melting Point N/A
MSDS N/A Flash Point 250.7ºC

 Names

Name 2-(2-oxopiperidin-3-yl)isoindole-1,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.393g/cm3
Boiling Point 490.9ºC at 760 mmHg
Molecular Formula C13H12N2O3
Molecular Weight 244.24600
Flash Point 250.7ºC
Exact Mass 244.08500
PSA 69.97000
LogP 0.77500
Index of Refraction 1.628
InChIKey ZLYHJKFZUWNUEQ-UHFFFAOYSA-N
SMILES O=C1NCCCC1N1C(=O)c2ccccc2C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI5635700
CHEMICAL NAME :
Phthalimide, N-(2-oxo-3-piperidyl)-
CAS REGISTRY NUMBER :
42472-96-8
LAST UPDATED :
198910
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C13-H12-N2-O3
MOLECULAR WEIGHT :
244.27
WISWESSER LINE NOTATION :
T56 BVNVJ C- CT6MVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1350 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,941,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
747 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,941,1981 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1200 mg/kg
SEX/DURATION :
female 7-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,941,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1200 mg/kg
SEX/DURATION :
female 7-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,941,1981
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1200 mg/kg
SEX/DURATION :
female 7-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - hepatobiliary system
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,941,1981

 Safety Information

HS Code 2933790090

 Customs

HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

 Synonyms

EM 136
3-phthalimidyl-piperidin-2-one
AmbTos3694
3-Phthalimidopiperidin-2-on
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