Grundinformationen
- CAS
2654-57-1- Standard-SMILES
CC1CN(c2ccccc2)NC1=O- InChIKey
ZZEYCGJAYIHIAZ-UHFFFAOYSA-N- Summenformel
- C10H12N2O
- Durchschnittliche Molmasse
- 176,21 g/mol
- Monoisotopische Masse
- 176,09496301
Namen und Bezeichner
- Bevorzugter Name
- 4-Methyl-1-phenylpyrazolidin-3-one
- IUPAC
- 4-methyl-1-phenylpyrazolidin-3-one
- Lokaler Name
- 4-Methyl-1-phenyl-3-pyrazolidon
- Englischer Name
- 1-Phenyl-4-methyl-3-pyrazolidone
- Summenformel
- C10H12N2O
- Molmasse
- 176.22
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
2654-57-1- PubChem CID
- 98282
- DTXSID
DTXSID8044412- ChEMBL
CHEMBL1489664- UNII
- 59MUO871OM
- EC Number
- 220-180-6
- Nikkaji
- J40.191I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 199
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-136 °C
- Siedepunkt
- 307.83 °C · 307.83°C (rough estimate)
- Dichte
- 1.1102 · 1.1102 (rough estimate)
- Dampfdruck
- 0.001 Pa · 0.001Pa at 25℃
- Brechungsindex
- 1.711 · 1.7110 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 9.54 · 9.54±0.70(Predicted)
- Farbe
- White to Light yellow
- Wasserlöslichkeit
- 754.801 mg/L · 754.801mg/L at 30℃
- InChI
- InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)
- InChIKey
- ZZEYCGJAYIHIAZ-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=CC=C2)CC(C)C(=O)N1
- LogP
- 0.624 at · 0.624 at 25℃
- CAS Datenbank
- 2654 · 2654-57-1(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Pyrazolidinone, 4-methyl-1-phenyl- (2654-57-1)
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
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29331990
- risk_code
- 22-43-51/53
- hazard_code
- Xn,N
- safety_code
- 24/25
- hazard_class
- 6.1(b)
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Pyrazolidinone, 4-methyl-1-phenyl-: ACTIVE
Anbieter100 Anbieter
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0371-55695890 15637198702 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…