4-Phenylpiperidin

4-Phenylpiperidine

HCID 69873CAS 771-99-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: c1ccc(C2CCNCC2)cc1
InChIKey: UTBULQCHEUWJNV-UHFFFAOYSA-N
Summenformel: C11H15N
Durchschnittliche Molmasse: 161,24 g/mol
Monoisotopische Masse: 161,12044948

Namen und Bezeichner

Bevorzugter Name: 4-Phenylpiperidine
IUPAC: 4-phenylpiperidine
Lokaler Name: 4-Phenylpiperidin
Englischer Name: 4-Phenylpiperidine
Summenformel: C11H15N
Molmasse: 161.24

Namen und Synonyme

4-Phenylpiperidine771-99-38V8IM567WTDTXSID40227890NSC-89743RefChem:100377DTXCID90150381212-243-14-Phenyl-piperidinePiperidine, 4-phenyl-MFCD000060024-Phenyl piperidine

Weitere Namen anzeigen

NSC 897434-PHENYLPIPERDINEAKOS BBS-00003581TIMTEC-BB SBB003943RARECHEM AH CK 01604-Phenyl piperadine4-Phenylpiperidine>4-PHENYLPIPERIDINE,99%

4-(phenyl)piperidine(4-phenyl)piperidineEINECS 212-243-1SCHEMBL4574CHEMBL20969CS-D0605AKOS000208931AB00564

Datenbank-Bezeichner

CAS: 771-99-3
PubChem CID: 69873
DTXSID: DTXSID40227890
ChEMBL: CHEMBL20969
UNII: 8V8IM567WT
EC Number: 212-243-1
Nikkaji: J99J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 121

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1454

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-65 °C (lit.)
Siedepunkt: 286 °C · 286 °C(lit.)
Dichte: 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.588(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Powder
pka: 10.2 · 10.20±0.10(Predicted)
Farbe: Yellow to brown
Wasserlöslichkeit: Soluble in water.
BRN: 124508 · 124508
InChI: InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey: UTBULQCHEUWJNV-UHFFFAOYSA-N
SMILES: N1CCC(C2=CC=CC=C2)CC1
CAS Datenbank: 771 · 771-99-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Phenylpiperidine(771-99-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN 2922 8/PG 2
hs_code: 29333990
RTECS-Nr.: TM2625000
risk_code: 36/37/38-34-11-20/21/22
hazard_code: T,Xi,C,F
safety_code: 26-36/37/39-45-37/39-36/37-16
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4-Phenylpiperidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

1,3-Dimethyl-4-phenyl-4-piperidinol 4-(4'-Bromophenyl)piperidine 5-Benzofuranamine, 2,3-dihydro-2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidinyl)methyl]-

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

Ergänzende Hinweise

Definition4-Phenylpiperidine is a benzene ring bound to a piperidine ring. It is the base structure for a variety of opioids, such as pethidine (meperidine), ketobemidone, alvimopan, loperamide, and diphenoxylate.