1-(4-bromophenyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
1152907-23-7- Standard SMILES
O=Cc1cn(-c2ccc(Br)cc2)nc1-c1cccs1- InChIKey
SEMJXTBLCZHTDD-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2OS
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 331.9619
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(4-bromophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
Names & synonyms
1152907-23-71-(4-bromophenyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehydeSCHEMBL20718851AKOS006030729
Database identifiers
- CAS
1152907-23-7- PubChem CID
- 43324166
- EC Number
- 173-291-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
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, P317, 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%)
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Related reactions
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Compound notes
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