5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
350997-70-5- Standard SMILES
Cc1ccc(-n2nc(C)c(C=O)c2Cl)cc1- InChIKey
KQWYKJSWCFJJFS-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0559907
Names & identifiers
- Preferred name
- 5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-3-methyl-1-(4-methylphenyl)pyrazole-4-carbaldehyde
- English name
- 5-Chloro-3-methyl-1-p-tolyl-1H-pyrazole-4-carboxaldehyde
- Molecular formula
- C12H11ClN2O
- Molecular weight
- 234.68
Names & synonyms
350997-70-55-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde5-Chloro-3-Methyl-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde5-chloro-3-methyl-1-(4-methylphenyl)pyrazole-4-carbaldehydeMFCD019936805-Chloro-3-methyl-1-p-tolyl-1H-pyrazole-4-carbaldehyde5-CHLORO-3-METHYL-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXALDEHYDE1H-pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-(4-methylphenyl)-1H-Pyrazole-4-carbaldehyde, 5-chloro-3-methyl-1-p-tolyl-KQWYKJSWCFJJFS-UHFFFAOYSA-NSCHEMBL15329692ALBB-026170
Show more names
5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolecarboxaldehyde
SBB002608STK348660AKOS000118649FS-5876CS-0307837EN300-08531G83719AN-655/40688210
Database identifiers
- CAS
350997-70-5- PubChem CID
- 712938
- EC Number
- 673-183-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 366.1 · 366.1±42.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- -3.61 · -3.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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