1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
210825-11-9- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1cccs1- InChIKey
HVDFEBGVPKLCCY-UHFFFAOYSA-N- Molecular formula
- C14H10N2OS
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.05138412
Names & identifiers
- Preferred name
- 1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
- English name
- 1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C14H10N2OS
- Molecular weight
- 254.31
Names & synonyms
210825-11-91-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehydeDTXSID10347332RefChem:233150DTXCID402984041-Phenyl-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehydeMFCD018294831-phenyl-3-(2-thienyl)pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1-phenyl-3-(2-thienyl)-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbaldehydePyrazole-4-carboxaldehyde, 1-phenyl-3-(2-thienyl)-
Show more names
1-phenyl-3-(2-thienyl)-4-pyrazolecarboxaldehydePyrazole-4-carbaldehyde, 1-phenyl-3-(2-thienyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carbaldehyde1-phenyl-3-(Thien-2-yl)-1H-pyrazole-4-carbaldehyde1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-carbaldehyde
CBMicro_035984Cambridge id 5884410SCHEMBL49178491H-Pyrazole-4-carboxaldehyde,1-phenyl-3-(2-thienyl)-HVDFEBGVPKLCCY-UHFFFAOYSA-NALBB-007498SBB048840STK282265
Database identifiers
- CAS
210825-11-9- PubChem CID
- 620226
- DTXSID
DTXSID10347332- EC Number
- 981-131-9
- Nikkaji
- J2.060.487E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Brown to dark brown Solid
- 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
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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