5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
38405-69-5- Standard SMILES
O=Cc1cnn(-c2ccccc2)c1Cl- InChIKey
NSFKRTCSUBXVIK-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O
- Average molar mass
- 206.63 g/mol
- Monoisotopic mass
- 206.0246905
Names & identifiers
- Preferred name
- 5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-1-phenylpyrazole-4-carbaldehyde
- English name
- 5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C10H7ClN2O
- Molecular weight
- 206.63
Names & synonyms
5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde38405-69-5RefChem:534304981-480-75-chloro-1-phenylpyrazole-4-carbaldehyde5-Chloro-1-phenyl-1H-pyrazole-4-carboxaldehydeSCHEMBL3321144NBA40569AKOS0003200665-chloro-1-phenyl-pyrazole-4-carbaldehydeDB-413826CS-0234022
Show more names
5-chloro-1-phenyl-1H-pyrazole-4-formaldehyde1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-phenyl-
ST51079241EN300-137970AO-638/151670383-r-5-chloro-1-phenyl-1h-pyrazole-4-carbaldehydeZ1617983977
Database identifiers
- CAS
38405-69-5- PubChem CID
- 849375
- EC Number
- 981-480-7
- Nikkaji
- J3.000.277F
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
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 340 · 340.0±22.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -4.52 · -4.52±0.10(Predicted)
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)
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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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