1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone

Modify Date: 2025-11-28 02:49:58

1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone Structure
1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone structure
Common Name 1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CAS Number 56463-73-1 Molecular Weight 248.70800
Density 1.274g/cm3 Boiling Point 437.3ºC at 760 mmHg
Molecular Formula C13H13ClN2O Melting Point N/A
MSDS N/A Flash Point 218.3ºC

 Names

Name 1-[4-Amino-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone

 Chemical & Physical Properties

Density 1.274g/cm3
Boiling Point 437.3ºC at 760 mmHg
Molecular Formula C13H13ClN2O
Molecular Weight 248.70800
Flash Point 218.3ºC
Exact Mass 248.07200
PSA 58.88000
LogP 4.00950
Index of Refraction 1.628
InChIKey OOIDVVFBVRBJSS-UHFFFAOYSA-N
SMILES CC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KM5507100
CHEMICAL NAME :
Ethanone, 1-(4-amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl )-
CAS REGISTRY NUMBER :
56463-73-1
BEILSTEIN REFERENCE NO. :
0478947
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-Cl-N2-O
MOLECULAR WEIGHT :
248.73

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 39,538,1984

 Synthetic Route

~67%

1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone Structure

1-[4-Amino-5-(p...

CAS#:56463-73-1

Literature: Gruppo Lepetit S.p.A. Patent: US4140696 A1, 1979 ;

~%

1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone Structure

1-[4-Amino-5-(p...

CAS#:56463-73-1

Literature: Tarzia; Panzone; Leali; Burdisso; Schiatti; Selva Farmaco, Edizione Scientifica, 1984 , vol. 39, # 6 p. 538 - 558

~%

1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone Structure

1-[4-Amino-5-(p...

CAS#:56463-73-1

Literature: Tarzia; Panzone; Leali; Burdisso; Schiatti; Selva Farmaco, Edizione Scientifica, 1984 , vol. 39, # 6 p. 538 - 558
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