Basic information
- CAS
1698-55-1- Standard SMILES
O=c1[nH]n(-c2ccccc2)c(=O)cc1Cl- InChIKey
ODPNBRBOAQEHKP-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 4-Chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione
- IUPAC
- 5-chloro-2-phenyl-1H-pyridazine-3,6-dione
- English name
- 4-chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione
- Molecular formula
- C10H7ClN2O2
- Molecular weight
- 222.63
Names & synonyms
1698-55-14-Chloro-1,2-dihydro-1-phenylpyridazine-3,6-dioneEINECS 216-919-7NSC 19458DTXSID80168753RefChem:520700DTXCID3091244216-919-75-chloro-2-phenyl-1H-pyridazine-3,6-dione5-Chloro-6-hydroxy-2-phenylpyridazin-3(2H)-oneNSC19458MLS002638683
Show more names
4-CHLORO-3-HYDROXY-1-PHENYL-6-PYRIDAZONE4-Chloro-1,2-dihydro-1-phenyl-3,6-pyridazinedione3,6-Pyridazinedione, 4-chloro-1,2-dihydro-1-phenyl-
4-chloro-1-phenyl-1,2-dihydropyridazine-3,6-dione3,6-Pyridazinedione,4-chloro-1,2-dihydro-1-phenyl-CHEMBL1888558ODPNBRBOAQEHKP-UHFFFAOYSA-NHMS3078K19NSC-19458AKOS024332184SMR001548153
Database identifiers
- CAS
1698-55-1- PubChem CID
- 74334
- DTXSID
DTXSID80168753- ChEMBL
CHEMBL1888558- EC Number
- 216-919-7
- Nikkaji
- J195.347H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 255 · 255-256 °C
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 7.07 · 7.07±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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