3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
Basic information
- CAS
52488-27-4- Standard SMILES
CCOC(=O)c1c(C(=O)OC)c(C(=O)OC)c2c3ccccc3cnn12- InChIKey
XQPHYLQJRJHRLI-UHFFFAOYSA-N- Molecular formula
- C18H16N2O6
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 356.10083623
Names & identifiers
- Preferred name
- 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
- IUPAC
- 3-O-ethyl 1-O,2-O-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
- English name
- 3-ethyl 1,2-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
- Molecular formula
- C18H16N2O6
- Molecular weight
- 356.32944
Names & synonyms
3-Ethyl 1,2-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate52488-27-43-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylateRefChem:501232660-684-7AKOS024435389
Database identifiers
- CAS
52488-27-4- PubChem CID
- 4867559
- EC Number
- 660-684-7
- Nikkaji
- J1.187.849K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
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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