Cas no 740813-37-0 (Ethyl 5-bromo-1H-pyrrole-2-carboxylate)

Ethyl 5-bromo-1H-pyrrole-2-carboxylate is a brominated pyrrole derivative widely used as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include its high reactivity as a building block for heterocyclic compounds, particularly in the synthesis of pyrrole-based scaffolds. The presence of both an ester group and a bromine substituent enables selective functionalization, facilitating further derivatization through cross-coupling reactions or nucleophilic substitutions. This compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined structure and consistent purity make it suitable for applications in medicinal chemistry, agrochemical development, and materials science.

Ethyl 5-bromo-1H-pyrrole-2-carboxylate structure

740813-37-0 structure

Product Name:Ethyl 5-bromo-1H-pyrrole-2-carboxylate

CAS No:740813-37-0

MF:C₇H₈BrNO₂

MW:218.047921180725

MDL:MFCD16996077

CID:1024335

PubChem ID:59559613

Update Time:2025-06-07

Ethyl 5-bromo-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

- Ethyl 5-bromo-1H-pyrrole-2-carboxylate
- EN300-107220
- MB19810
- SCHEMBL426297
- DTXSID60732390
- Ethyl5-bromo-1H-pyrrole-2-carboxylate
- FT-0722323
- Z1269164038
- 740813-37-0
- AKOS016002743
- 5-bromo-1H-pyrrole-2-carboxylic acid ethyl ester
- A865967
- MAWSPHLRAHWQKY-UHFFFAOYSA-N
- 1H-Pyrrole-2-carboxylic acid, 5-bromo-, ethyl ester
- AS-40939
- DA-33785
- MDL： MFCD16996077
- Inchi： 1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3
- InChI Key： MAWSPHLRAHWQKY-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)OCC)N1

Computed Properties

Exact Mass: 216.97384g/mol
Monoisotopic Mass: 216.97384g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 11
Rotatable Bond Count: 3
Complexity: 151
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.3
Topological Polar Surface Area: 42.1?2

Experimental Properties

Density: 1.6±0.1 g/cm3
Melting Point: 93-94℃ (ethyl acetate ligroine )
Boiling Point: 301.7±22.0 °C at 760 mmHg
Vapor Pressure: 0.0±0.6 mmHg at 25°C

Ethyl 5-bromo-1H-pyrrole-2-carboxylate Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Ethyl 5-bromo-1H-pyrrole-2-carboxylate Pricemore >>

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