3-(2-Hydroxyethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Basic information
- CAS
730951-11-8- Standard SMILES
O=C(O)c1nn(CCO)c(=O)c2ccccc12- InChIKey
FDYWMLCMENHFNT-UHFFFAOYSA-N- Molecular formula
- C11H10N2O4
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.0640568
Names & identifiers
- Preferred name
- 3-(2-Hydroxyethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
- IUPAC
- 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylic acid
- English name
- 3-(2-Hydroxy-ethyl)-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
- Molecular formula
- C11H10N2O4
- Molecular weight
- 234.21
Names & synonyms
3-(2-hydroxyethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid730951-11-83-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylic acidMFCD046216633-(2-Hydroxy-ethyl)-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylic AcidHMS1748C11FEB95111AKOS000116944SB74912CS-0221208EN300-08588
Show more names
Anabasine Impurity 41-Phthalazinecarboxylic acid, 3,4-dihydro-3-(2-hydroxyethyl)-4-oxo-
G20035SR-01000046987SR-01000046987-1Z569437283-(2-hydroxyethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylicacid
Database identifiers
- CAS
730951-11-8- PubChem CID
- 2393947
- EC Number
- 118-443-4
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 495.8 · 495.8±47.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 1.15 · 1.15±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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