Basic information
- CAS
29211-43-6- Standard SMILES
CCCC1=NN(c2ccccc2)C(=O)C1- InChIKey
DXQSVRLYPGKQNS-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 2-phenyl-5-propyl-4H-pyrazol-3-one
- English name
- 1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
29211-43-61-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-5-oneRefChem:435635874-386-12-Phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one2-phenyl-5-propyl-4H-pyrazol-3-one1-Phenyl-3-propyl-1H-pyrazol-5(4H)-oneMFCD008287221-phenyl-3-propyl-2-pyrazolin-5-oneMaybridge1_001300SCHEMBL4664734HMS545D02
Show more names
VITAS-BB TBB009873ART-CHEM-BB B0291581-phenyl-3-propyl-1H-pyrazol-5-ol2-PHENYL-5-PROPYL-2,4-DIHYDRO-PYRAZOL-3-ONE2,4-DIHYDRO-2-PHENYL-5-PROPYL-3H-PYRAZOL-3-ONE3H-Pyrazol-3-one, 2,4-dihydro-2-phenyl-5-propyl-
DXQSVRLYPGKQNS-UHFFFAOYSA-NSBB023574STK3506541-Phenyl-3-propyl-2-pyrazolin-5-onAKOS000313195CCG-235316Pyrazol-5(4H)-one, 1-phenyl-3-propyl-CS-0116752
Database identifiers
- CAS
29211-43-6- PubChem CID
- 608697
- EC Number
- 874-386-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 111 · 111-114 °C(Solvent: Cyclohexane; Diethyl ether)
- Boiling point
- 356.329 · 356.329±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.12 · 1.120±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.731 · 2.731±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…