1,2-Diethyl 3-methyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
Basic information
- CAS
853318-92-0- Standard SMILES
CCOC(=O)c1c(C(=O)OCC)c2c3ccccc3cnn2c1C(=O)OC- InChIKey
LSVZCELGNKTEGY-UHFFFAOYSA-N- Molecular formula
- C19H18N2O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1164863
Names & identifiers
- Preferred name
- 1,2-Diethyl 3-methyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
- IUPAC
- 1-O,2-O-diethyl 3-O-methyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
- English name
- 1,2-diethyl 3-methyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
- Molecular formula
- C19H18N2O6
- Molecular weight
- 370.35602
Names & synonyms
853318-92-01,2-DIETHYL 3-METHYL PYRROLO(2,1-A)PHTHALAZINE-1,2,3-TRICARBOXYLATE1,2-Diethyl 3-methyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylateRefChem:411620661-631-0AKOS024435417
Database identifiers
- CAS
853318-92-0- PubChem CID
- 45051144
- EC Number
- 661-631-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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