2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
Basic information
- CAS
5431-96-9- Standard SMILES
CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C- InChIKey
WVKWZKUHEZIQNO-UHFFFAOYSA-N- Molecular formula
- C23H30N2O8
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.20021592
Names & identifiers
- Preferred name
- 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
- IUPAC
- diethyl 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
- English name
- 2,2'-Methylenebis(diethyl 4-methyl-3,5-pyrroledicarboxylate)
- Molecular formula
- C23H30N2O8
- Molecular weight
- 462.49
Names & synonyms
2,2'-METHYLENEBIS(DIETHYL 4-METHYL-3,5-PYRROLEDICARBOXYLATE)RefChem:440323668-053-85431-96-9Tetraethyl 5,5'-methylenebis(3-methyl-1H-pyrrole-2,4-dicarboxylate)NSC13668DTXSID90969379NSC-13668AKOS024324403diethyl 5-[[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate1H-Pyrrole-2,4-dicarboxylic acid, 5,5'-methylenebis[3-methyl-, tetraethyl ester1H-Pyrrole-2,4-dicarboxylic acid, 5,5'-methylenebis[3-methyl-, tetraethyl ester (9CI)
Database identifiers
- CAS
5431-96-9- PubChem CID
- 224843
- DTXSID
DTXSID90969379- EC Number
- 668-053-8
- Nikkaji
- J640.986E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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