2-Benzoylpyrrole

Modify Date: 2025-08-25 10:23:47

2-Benzoylpyrrole Structure
2-Benzoylpyrrole structure
Common Name 2-Benzoylpyrrole
CAS Number 7697-46-3 Molecular Weight 171.19500
Density 1.173 g/cm3 Boiling Point 305.7ºC at 760 mmHg
Molecular Formula C11H9NO Melting Point 75-77ºC
MSDS N/A Flash Point 146.6ºC

 Names

Name 2-Benzoylpyrrole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.173 g/cm3
Boiling Point 305.7ºC at 760 mmHg
Melting Point 75-77ºC
Molecular Formula C11H9NO
Molecular Weight 171.19500
Flash Point 146.6ºC
Exact Mass 171.06800
PSA 32.86000
LogP 2.24570
Index of Refraction 1.608
InChIKey NFGGQMYSOLVBLF-UHFFFAOYSA-N
SMILES O=C(c1ccccc1)c1ccc[nH]1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB6407000
CHEMICAL NAME :
Ketone, phenyl pyrrol-2-yl
CAS REGISTRY NUMBER :
7697-46-3
BEILSTEIN REFERENCE NO. :
0120606
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H9-N-O
MOLECULAR WEIGHT :
171.21
WISWESSER LINE NOTATION :
T5MJ BVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
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: 11,1251,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
767 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)
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: 11,1251,1968

 Synthetic Route

 2-BenzoylpyrroleBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
Source: 24386
Target: N/A
External Id: Sarm1 TIR NADase inhibitors
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Binding affinity to PELI1 FHA domain (unknown origin) expressed in Escherichia coli B...
Source: ChEMBL
Target: E3 ubiquitin-protein ligase pellino homolog 1
External Id: CHEMBL5519283
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 Synonyms

phenyl-pyrrol-2-yl-methanone
Pyrrol-2-yl Phenyl Ketone
2-Benzoylpyrroline
2-Benzoyl-1H-pyrrole
Phenyl-pyrrol-2-yl-keton
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