2-(2-(2-Methylbenzoylimino)-5-nitro-4-thiazolin-3-yl)diacetamide

Modify Date: 2025-09-02 21:15:25

2-(2-(2-Methylbenzoylimino)-5-nitro-4-thiazolin-3-yl)diacetamide Structure
2-(2-(2-Methylbenzoylimino)-5-nitro-4-thiazolin-3-yl)diacetamide structure
Common Name 2-(2-(2-Methylbenzoylimino)-5-nitro-4-thiazolin-3-yl)diacetamide
CAS Number 79798-91-7 Molecular Weight 362.36000
Density 1.51g/cm3 Boiling Point 621.6ºC at 760 mmHg
Molecular Formula C15H14N4O5S Melting Point N/A
MSDS N/A Flash Point 329.7ºC

 Names

Name 3-Acetyl-N-[(2E)-3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2(3H) -ylidene]-2-methylbenzamide

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 621.6ºC at 760 mmHg
Molecular Formula C15H14N4O5S
Molecular Weight 362.36000
Flash Point 329.7ºC
Exact Mass 362.06800
PSA 169.57000
LogP 2.86810
Index of Refraction 1.687
InChIKey PFDYTPRSMMYDGC-UHFFFAOYSA-N
SMILES CC(=O)c1cccc(C(=O)N=c2sc([N+](=O)[O-])cn2CC(N)=O)c1C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ1292000
CHEMICAL NAME :
3(2H)-Thiazoleacetamide, N-acetyl-2-((2-methylbenzoyl)imino)-5-nitro-
CAS REGISTRY NUMBER :
79798-91-7
LAST UPDATED :
199603
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H14-N4-O5-S
MOLECULAR WEIGHT :
362.39

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 :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0031563
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0031563
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