5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Completing data — refresh the page later to see the latest
Basic information
- CAS
60484-29-9- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1C=O- InChIKey
CAABWYILLVOLJI-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
- English name
- AKOS BBS-00003106
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
60484-29-95-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehydeRefChem:536203802-042-25-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde5-hydroxy-3-methyl-1-phenylpyrazole-4-carbaldehyde5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehydeAKOS BBS-00003106MFCD0044847920719-13-54702-79-81H-Pyrazole-4-carboxaldehyde, 5-hydroxy-3-methyl-1-phenyl-
Show more names
AKOS A0602-0546OTAVA-BB 7118560914TIMTEC-BB SBB005359Teneligliptin Impurity 455-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-carbaldehyde
4-(Hydroxymethylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-oneIFLAB-BB F2124-0054CBMicro_027636Cambridge id 5677040SCHEMBL435880orb3181119SCHEMBL8883561SCHEMBL13678890
Database identifiers
- CAS
60484-29-9- PubChem CID
- 687977
- EC Number
- 802-042-2
- Nikkaji
- J2.129.207I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,15H,1H3
- InChIKey
- CAABWYILLVOLJI-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=CC=C2)C(O)=C(C=O)C(C)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…