Basic information
- CAS
1541538-18-4- Standard SMILES
Cc1cnn(-c2ccc(C=O)cc2Cl)c1- InChIKey
SQEQJUCOCCOUEZ-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0403406
Names & identifiers
- Preferred name
- 3-chloro-4-(4-methyl-1H-pyrazol-1-yl)benzaldehyde
- IUPAC
- 3-chloro-4-(4-methylpyrazol-1-yl)benzaldehyde
Names & synonyms
3-chloro-4-(4-methyl-1H-pyrazol-1-yl)benzaldehyde1541538-18-4RefChem:499895819-055-43-chloro-4-(4-methylpyrazol-1-yl)benzaldehydeRLC53818AKOS019716424EN300-1293022Z1436282341
Database identifiers
- CAS
1541538-18-4- PubChem CID
- 81145461
- EC Number
- 819-055-4
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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