Basic information
- CAS
2654-57-1- Standard SMILES
CC1CN(c2ccccc2)NC1=O- InChIKey
ZZEYCGJAYIHIAZ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 4-Methyl-1-phenylpyrazolidin-3-one
- IUPAC
- 4-methyl-1-phenylpyrazolidin-3-one
- English name
- 1-Phenyl-4-methyl-3-pyrazolidone
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
4-methyl-1-phenylpyrazolidin-3-one2654-57-11-Phenyl-4-methyl-3-pyrazolidonePhenidone B3-Pyrazolidinone, 4-methyl-1-phenyl-4-Methyl-1-phenyl-3-pyrazolidone4-Methyl-1-phenyl-3-pyrazolidinone4-Methyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-olDTXSID80444121-phenyl-4-methyl-3-pyrazolidinone59MUO871OMEINECS 220-180-6
Show more names
BPhenidonAKOS B028768PYRAZOLIDONE BUNII:59MUO871OMMethyl-phenidone4-A Jifei Ni ketone1-Phenyl-4-methyl-3-1-Phenyl-4-methyl-3-pyrazolido
NSC 96628NSC-96628AI3-60150Pyrazolidin3one, 4methyl1phenylDTXCID60244121-PHENYL-4-METHYL-3-OXOPYRAZOLIDINERefChem:5249581Phenyl4methyl3pyrazolidone
Database identifiers
- CAS
2654-57-1- PubChem CID
- 98282
- DTXSID
DTXSID8044412- ChEMBL
CHEMBL1489664- UNII
- 59MUO871OM
- EC Number
- 220-180-6
- Nikkaji
- J40.191I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrazoles
Solubility19 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionVery slightly yellow crystalline powder; [Acros Organics MSDS]
Collision Cross Section138.0 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8044412]
Physicochemical properties
- Melting point
- 133 · 133-136 °C
- Boiling point
- 307.83 °C · 307.83°C (rough estimate)
- Density
- 1.1102 · 1.1102 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 1.711 · 1.7110 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Methanol
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
Danger
H301 (87%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Pyrazolidinone, 4-methyl-1-phenyl-
REACH registered substance: 4-methyl-1-phenyl-3-pyrazolidone (EC: 220-180-6)
3-Pyrazolidinone, 4-methyl-1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidinone and Phenidone.
Hazard Classes and CategoriesAcute Tox. 3 (87%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29331990
- risk_code
- 22-43-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyrazolidinone, 4-methyl-1-phenyl-: ACTIVE
Applications
Uses1-Phenyl-4-methyl-3-pyrazolidone is used as imaging chemicals, used as photographic developers in photosensitive materials, black and white film and photographic paper, and also as pharmaceutical intermediates.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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