(5-Amino-1-(3-chlorophenyl)-1H-pyrazol-4-YL)(2-furyl)methanone
Basic information
- CAS
618091-66-0- Standard SMILES
Nc1c(C(=O)c2ccco2)cnn1-c1cccc(Cl)c1- InChIKey
CSAXUKRJKSHJSI-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O2
- Average molar mass
- 287.7 g/mol
- Monoisotopic mass
- 287.0461543
Names & identifiers
- Preferred name
- (5-Amino-1-(3-chlorophenyl)-1H-pyrazol-4-YL)(2-furyl)methanone
- IUPAC
- [5-amino-1-(3-chlorophenyl)pyrazol-4-yl]-(furan-2-yl)methanone
- English name
- (5-Amino-1-(3-chlorophenyl)-1H-pyrazol-4-yl)(furan-2-yl)methanone
- Molecular formula
- C14H10ClN3O2
- Molecular weight
- 287.7
Names & synonyms
618091-66-0(5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOL-4-YL)(2-FURYL)METHANONERefChem:403738650-861-7(5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOL-4-YL)(FURAN-2-YL)METHANONEAKOS024408752SALOR-INT L252115-1EAMethanone, [5-amino-1-(3-chlorophenyl)-1H-pyrazol-4-yl]-2-furanyl-
Database identifiers
- CAS
618091-66-0- PubChem CID
- 4137864
- EC Number
- 650-861-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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