Cas no 2654-58-2 (4,4-Dimethyl-1-phenyl-3-pyrazolidone)
2654-58-2 structure
Product Name:4,4-Dimethyl-1-phenyl-3-pyrazolidone
4,4-Dimethyl-1-phenyl-3-pyrazolidone Chemical and Physical Properties
Names and Identifiers
-
- 4,4-Dimethyl-1-phenyl-3-pyrazolidone
- 4,4-Dimethyl-1-phenyl-3-pyrazolidinone
- 4,4-dimethyl-1-phenylpyrazolidin-3-one
- 1-Phenyl-4,4-dimethyl-3-pyrazolidinon
- 1-Phenyl-4,4-dimethyl-3-pyrazolidon
- 3-Pyrazolidinone,4,4-dimethyl-1-phenyl
- 4,4-dimethyl-1-phenyl-pyrazolidin-3-one
- 4,4-Dimethylphenidone
- Dimezone
- EINECS 220-181-1
- Phenidone D
- 1-Phenyl-4,4-dimethyl-3-pyrazolidone
- NSC-215239
- 1-Phenyl-4,4-dimethylpyrazolidin-3-on
- 4, 4-dimethyl-1-phenylpyrazolidin-3-one
- 4,4-Dimethyl-1-phenyl-3-pyrazolidione
- MFCD00044325
- 3-Pyrazolidinone,4-dimethyl-1-phenyl-
- UNII-I86O3K6LPN
- FT-0617078
- DTXSID0051940
- NSC215239
- 1-phenyl-4,4-dimethyl-3-pyrazolidinone
- AKOS015916416
- 2654-58-2
- 3-Pyrazolidinone, 4,4-dimethyl-1-phenyl-
- NS00020288
- NSC 215239
- W-109812
- (2,2-Dimethyl-1-pyrrolidin-1-ylmethylpropyl)methylcarbamicacidbenzylester
- I86O3K6LPN
- Dimezone (4,4-Dimethyl-1-phenyl-3-pyrazolidinone)
- SCHEMBL271530
- InChI=1/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14
- DTXCID3030503
- 220-181-1
- DB-046981
-
- MDL： MFCD00044325
- Inchi： 1S/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
- InChI Key： SJSJAWHHGDPBOC-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)CN(C2C=CC=CC=2)N1
- BRN： 144478
Computed Properties
- Exact Mass: 190.11100
- Monoisotopic Mass: 190.110613
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.2
- Topological Polar Surface Area: 32.3
Experimental Properties
- Color/Form: Not available
- Density: 1.0815 (rough estimate)
- Melting Point: 166-169 oC
- Boiling Point: 325.75°C (rough estimate)
- Flash Point: 195 oC
- Refractive Index: 1.5700 (estimate)
- Water Partition Coefficient: dissolution
- PSA: 32.34000
- LogP: 1.95780
- Solubility: Soluble in water
4,4-Dimethyl-1-phenyl-3-pyrazolidone Security Information
- Hazardous Material transportation number：UN 2811 6.1/PG 2
- WGK Germany：2
- Hazard Category Code： R25;R36/37/38;R43
- Safety Instruction： S26-S36/37-S45-S37/39-S28A-S24
- RTECS：UQ8710000
-
Hazardous Material Identification：
- Packing Group：II
- Hazard Level：6.1
- HazardClass：6.1
- PackingGroup：II
- Safety Term：6.1
- Packing Group：II
- Risk Phrases：R25; R36/37/38; R43
- Storage Condition：Store in a cool, dry, well ventilated area away from incompatible substances.
4,4-Dimethyl-1-phenyl-3-pyrazolidone Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4,4-Dimethyl-1-phenyl-3-pyrazolidone Related Literature
-
1. Electrochemical oxidation of 1-phenylpyrazolidin-3-ones. Part 2. 1-Aryl-4,4-dimethylpyrazolidin-3-onesAnthony J. Bellamy,David I. Innes,Peter J. Hillson J. Chem. Soc. Perkin Trans. 2 1983 175
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Mengyang Shen,Hao Li,Xinying Zhang,Xuesen Fan Org. Chem. Front. 2022 9 5976
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Muhua Wang,Linghua Zhang,Xi Chen,Xinying Zhang,Xuesen Fan Org. Chem. Front. 2021 8 3238
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Mengyang Shen,Yuanshuang Xu,Xinying Zhang,Xuesen Fan Org. Chem. Front. 2022 9 1410
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Zi Yang,Zhenyu Song,Lianghua Jie,Lianhui Wang,Xiuling Cui Chem. Commun. 2019 55 6094
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