ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate
• CAS No.: 175276-55-8
• Molecular Formula: C18H23 N O2
• Molecular Weight: 285.38100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70372448
• Wikidata: Q82160164
• Mol file: 175276-55-8.mol

Synonyms:175276-55-8;ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate;ethyl 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylate;ethyl 5-tert-butyl-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate;1H-Pyrrole-3-carboxylic acid, 5-(1,1-dimethylethyl)-2-methyl-1-phenyl-, ethyl ester;DTXSID70372448;WOPQCXBFULUHAL-UHFFFAOYSA-N;MFCD00221064;AKOS015908544;FT-0626111;1H-Pyrrole-3-carboxylicacid,5-(1,1-dimethylethyl)-2-methyl-1-phenyl-,ethyl ester

Chemical Property of ethyl 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.43E-06mmHg at 25°C
• Boiling Point: 386.9oC at 760 mmHg
• PKA: -5.40±0.70(Predicted)
• Flash Point: 187.8oC
• PSA: 31.23000
• Density: 1.01g/cm3
• LogP: 4.25990
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 285.172878976
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

98% ^*data from raw suppliers

ETHYL 5-(TERT-BUTYL)-2-METHYL-1-PHENYL-1H-PYRROLE-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)C2=CC=CC=C2)C