Methyl (3-(4-chlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetate
Basic information
- CAS
853330-21-9- Standard SMILES
COC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O- InChIKey
YOMCUTKRXLBFCC-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O3
- Average molar mass
- 278.69 g/mol
- Monoisotopic mass
- 278.0458199
Names & identifiers
- Preferred name
- Methyl (3-(4-chlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetate
- IUPAC
- methyl 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetate
Names & synonyms
853330-21-9METHYL (3-(4-CHLOROPHENYL)-6-OXO-1(6H)-PYRIDAZINYL)ACETATERefChem:812243665-170-6Methyl 2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)acetatemethyl [3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetateCHEMBL1275955EiM08-14208STK940221AKOS005669175CS-0326258methyl 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetate
Show more names
methyl 2-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]acetate
Database identifiers
- CAS
853330-21-9- PubChem CID
- 40488795
- ChEMBL
CHEMBL1275955- EC Number
- 665-170-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…