ethyl 2-(1H-pyrrol-2-yl)acetate
Basic information
- CAS
4778-25-0- Standard SMILES
CCOC(=O)Cc1ccc[nH]1- InChIKey
BSQHTIJMZDDKAZ-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- ethyl 2-(1H-pyrrol-2-yl)acetate
- IUPAC
- ethyl 2-(1H-pyrrol-2-yl)acetate
- English name
- Ethyl 2-(1H-pyrrol-2-yl)acetate
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
ethyl 2-(1H-pyrrol-2-yl)acetateDTXSID30277849RefChem:593627DTXCID50229007819-302-64778-25-0ethyl 1H-pyrrol-2-ylacetateMFCD12964794NSC45101H-Pyrrole-2-acetic Acid Ethyl Ester; Pyrrole-2-acetic Acid Ethyl Ester; (1H-Pyrrol-2-yl)acetic Acid Ethyl Ester; 2-(Carboethoxymethyl)pyrrole; Ethyl Pyrrole-2-acetate; NSC 4510carbethoxymethylpyrroleSCHEMBL4012449
Show more names
Ketorolac Impurity 201H-Pyrrole-2-acetic acid, ethyl esterIsopropyl 5-Benzoyl-1-hydroxy-2,3-dihydropyrrolizine-1-carboxylate
Ethyl (1H-pyrrol-2-yl)acetateKetorolac Pyrrole Ester ImpurityBSQHTIJMZDDKAZ-UHFFFAOYSA-Nethyl2-(1H-pyrrol-2-yl)acetateEAA77825NSC-4510AKOS022191164PB18028
Database identifiers
- CAS
4778-25-0- PubChem CID
- 220944
- DTXSID
DTXSID30277849- EC Number
- 819-302-6
- Nikkaji
- J465.543E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 80 · 80-90 °C(Press: 0.5 Torr)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Sparingly)
- form
- Oil
- pka
- 16.88 · 16.88±0.50(Predicted)
- color
- Colourless to Pale Yellow
- Major Application
- pharmaceutical
- UNSPSC Code
- 41116107 · 41116107
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · WGK 3
- Storage Class
- 13 · 13 - Non Combustible Solids
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 2 reports by companies from 2 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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesEthyl 2-(1H-Pyrrol-2-yl)acetate is an intermediate in the synthesis of rac Ketorolac 6-Benzoyl Isomer (K235620). rac Ketorolac 6-Benzoyl Isomer (Ketorolac EP Impurity C) is an isomeric impurity of Ketorolac (K235620).
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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