4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-on
4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
Grundinformationen
- CAS
13047-13-7- Standard-SMILES
CC1(CO)CN(c2ccccc2)NC1=O- InChIKey
DSVIHYOAKPVFEH-UHFFFAOYSA-N- Summenformel
- C11H14N2O2
- Durchschnittliche Molmasse
- 206,24 g/mol
- Monoisotopische Masse
- 206,10552769
Namen und Bezeichner
- Bevorzugter Name
- 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
- IUPAC
- 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
- Lokaler Name
- 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-on
- Englischer Name
- Dimezone S
- Summenformel
- C11H14N2O2
- Molmasse
- 206.24
Namen und Synonyme
13047-13-74-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-oneDimezone S4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-DTXSID9044794EINECS 235-920-34-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinoneUNII-36N3HE0R0L36N3HE0R0L1-Phenyl-4-methyl-4-hydroxymethyl-3-pyrazolidoneJ35.502J
Weitere Namen anzeigen
DIMEZONSPHENIDONE SPYRAZOLIDONE STIMTEC-BB SBB003486LABOTEST-BB LT004537904-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidon4-HYDROXYMETHYL-4-METHYL-1-PHENYL-3-PYRAZOLIDINONE
DTXCID70247941-PHENYL-4-(HYDROXYMETHYL)-4-METHYLPYRAZOLIDINE-3-ONE4-(hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidone1-PHENYL-4-(HYDROXYMETHYL)-4-METHYL-3-PYRAZOLIDONERefChem:97470235-920-3DSVIHYOAKPVFEH-UHFFFAOYSA-NMFCD00055653
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 251
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyrazoles
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Collision Cross Section143.2 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9044794]
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-126 °C
- Siedepunkt
- 345.1 °C · 345.1°C (rough estimate)
- Dichte
- 1.1427 · 1.1427 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- Flammpunkt
- 113 °C · 113 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 9.09 · 9.09±0.70(Predicted)
- Aggregatzustand
- Solid:particulate/powder
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-
REACH registered substance: 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one (EC: 235-920-3)
3-Pyrazolidinone, 4-(hydroxymethyl)-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 Summary
Causes respiratory depression and methemoglobinemia in acute inhalation studies (unspecified mammal species); Causes somnolence, respiratory depression, ataxia, changes in recordings from peripheral motor nerve, and convulsions in oral lethal-dose studies of rats; Causes changes in liver and spleen weights and nucleated red blood cells in 12-day oral studies of rats; [RTECS] An irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Phenidone.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxikologische Informationen
Adverse Effects
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-: ACTIVE
Anbieter81 Anbieter
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
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河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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