Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
Basic information
- CAS
3274-64-4- Standard SMILES
CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1-c1ccccc1- InChIKey
ABPDNHZRNOLJJN-UHFFFAOYSA-N- Molecular formula
- C20H19NO2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.14157885
Names & identifiers
- Preferred name
- Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
- English name
- Ethyl 4,5-diphenyl-2-methyl-3-pyrrolecarboxylate
- Molecular formula
- C20H19NO2
- Molecular weight
- 305.37
Names & synonyms
Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylateEthyl 4,5-Diphenyl-2-Methyl-3-PyrrolecarboxylateDTXSID00291451RefChem:594470DTXCID10242595654-703-83274-64-4NSC75639NCIOpen2_008631Oprea1_353221Oprea1_530653CBDivE_008003
Show more names
1H-Pyrrole-3-carboxylic acid, 2-methyl-4,5-diphenyl-, ethyl ester
CHEMBL4949992SCHEMBL31567904SCHEMBL31567905ABPDNHZRNOLJJN-UHFFFAOYSA-NMFCD00022375NSC 75639NSC-75639STK001835
Database identifiers
- CAS
3274-64-4- PubChem CID
- 253134
- DTXSID
DTXSID00291451- ChEMBL
CHEMBL4949992- EC Number
- 654-703-8
- Nikkaji
- J1.447.752G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 483 · 483.0±45.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 15.84 · 15.84±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H413-H335-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H413-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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