Basic information
- CAS
882237-68-5- Standard SMILES
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=O- InChIKey
JOQFUMIVVREMIX-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O
- Average molar mass
- 269.12 g/mol
- Monoisotopic mass
- 268.0170183
Names & identifiers
- Preferred name
- 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbaldehyde
- English name
- 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-
- Molecular formula
- C12H10Cl2N2O
- Molecular weight
- 269.13
Names & synonyms
882237-68-55-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-1H-pyrazole-4-carbaldehyde5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbaldehyde5-Chloro-1-(2-chloro-benzyl)-3-methyl-1h-pyrazole-4-carbaldehydeHKB23768AKOS001469159CS-0219849EN300-05099G21659SR-01000042691SR-01000042691-1Z56910439
Show more names
1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carbaldehyde
Database identifiers
- CAS
882237-68-5- PubChem CID
- 2363701
- EC Number
- 197-243-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 416.5 · 416.5±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -0.95 · -0.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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