3-(5-nitro-2-furyl)-1-(3-nitrophenyl)prop-2-en-1-one

Modify Date: 2025-08-27 17:50:40

3-(5-nitro-2-furyl)-1-(3-nitrophenyl)prop-2-en-1-one Structure
3-(5-nitro-2-furyl)-1-(3-nitrophenyl)prop-2-en-1-one structure
Common Name 3-(5-nitro-2-furyl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number 63421-83-0 Molecular Weight 288.21200
Density 1.468g/cm3 Boiling Point 473.2ºC at 760 mmHg
Molecular Formula C13H8N2O6 Melting Point N/A
MSDS N/A Flash Point 240ºC

 Names

Name (E)-3-(5-nitrofuran-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one

 Chemical & Physical Properties

Density 1.468g/cm3
Boiling Point 473.2ºC at 760 mmHg
Molecular Formula C13H8N2O6
Molecular Weight 288.21200
Flash Point 240ºC
Exact Mass 288.03800
PSA 121.85000
LogP 4.03850
Index of Refraction 1.66
InChIKey PTGULJNWIUVKES-GQCTYLIASA-N
SMILES O=C(C=Cc1ccc([N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AT7271010
CHEMICAL NAME :
Acrylophenone, 3-(5-nitro-2-furyl)-3'-nitro-
CAS REGISTRY NUMBER :
63421-83-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H8-N2-O6
MOLECULAR WEIGHT :
288.23
WISWESSER LINE NOTATION :
T5OJ BNW E1U1VR CNW

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 :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BSPBAD Bulletin de la Societe de Pharmacie de Bordeaux. (Societe de Pharmacie de Bordeaux, Faculte de Pharmacie, 91, rue Leyteire, 33076 Bordeaux, France) V.89- 1951- Volume(issue)/page/year: 117,101,1978
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