1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
957312-98-0- Standard SMILES
O=Cc1cnn(C2CCCCC2)c1- InChIKey
JKBDNPCWBJBVJB-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-cyclohexylpyrazole-4-carbaldehyde
- English name
- 1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
1-Cyclohexyl-1H-pyrazole-4-carbaldehyde957312-98-0DTXSID80389805RefChem:229698DTXCID10340666882-269-11-cyclohexylpyrazole-4-carbaldehydeSCHEMBL21411356HNB31298MFCD07186315AKOS000596709SY423745
Show more names
ASINEX-REAG BAS 031073401-Cyclohexyl-1H-pyrazol-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1-cyclohexyl-
DB-023508ST50269713EN300-1694197Z802543040
Database identifiers
- CAS
957312-98-0- PubChem CID
- 3145403
- DTXSID
DTXSID80389805- EC Number
- 882-269-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 322.7 · 322.7±15.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 1.27 · 1.27±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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