4-Chlor-N-methylpiperidin

4-chloro-N-methylpiperidine

HCID 79342CAS 5570-77-4

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Grundinformationen

Standard-SMILES: CN1CCC(Cl)CC1
InChIKey: MYGXGCCFTPKWIH-UHFFFAOYSA-N
Summenformel: C6H12ClN
Durchschnittliche Molmasse: 133,62 g/mol
Monoisotopische Masse: 133,06582706

Namen und Bezeichner

Bevorzugter Name: 4-chloro-N-methylpiperidine
IUPAC: 4-chloro-1-methylpiperidine
Lokaler Name: 4-Chlor-N-methylpiperidin
Englischer Name: 4-Chloro-N-methylpiperidine
Summenformel: C6H12ClN
Molmasse: 133.62

Namen und Synonyme

4-Chloro-1-methylpiperidine4-Chloro-N-methylpiperidineN-methyl-4-chloropiperidinePiperidine, 4-chloro-1-methyl-3J2YSE7ZGEEINECS 226-942-4UNII-3J2YSE7ZGEDTXSID90639501-METHYL-4-PIPERIDYL CHLORIDE1-METHYL-4-PIPERIDINYL CHLORIDE4-Chloro-N-methylpiperidine hydrochloride (Salt/Mix)1-Methyl-4-chloropiperidine hydrochloride (Salt/Mix)

Weitere Namen anzeigen

N-METHYL-4-CHLORO PIPERIDINE4-CHLORO-N-METHYL PIPERIDINEoro-1-methyLN-Methyl-4-chloroN-methyl-4-cloperidineN-Methyl-4-Chloropiperdine4-chloro-1-methyl-piperidinN-Methyl-4-chloropiperideneN-methyl-4-ChIoropiperidine

RefChem:98536DTXCID4041947226-942-4MYGXGCCFTPKWIH-UHFFFAOYSA-N5570-77-41-Methyl-4-chloropiperidine4-chloro-1-methyl-piperidineMFCD00044489

Datenbank-Bezeichner

CAS: 5570-77-4
PubChem CID: 79342
DTXSID: DTXSID9063950
UNII: 3J2YSE7ZGE
EC Number: 226-942-4
Nikkaji: J215.723C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 66,9

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-165°C
Siedepunkt: 162 °C · 162°C(lit.)
Dichte: 1.02 · 1.02
Dampfdruck: 3.493 hPa · 3.493hPa at 25℃
Brechungsindex: 1.467 · 1.4670-1.4710
Flammpunkt: 48 °C · 48 °C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethanol (Slightly) , Methanol (Slightly)
Aggregatzustand: clear liquid to slightly cloudy liquid
pka: 7.88 · 7.88±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: 1.533 g/L · 1.533g/L at 29℃
InChI: 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey: MYGXGCCFTPKWIH-UHFFFAOYSA-N
SMILES: CN1CCC(Cl)CC1
LogP: 1.318 at · 1.318 at 25℃
CAS Datenbank: 5570 · 5570-77-4(CAS DataBase Reference)
EPA chemische Informationen: 4 · Piperidine, 4-chloro-1-methyl- (5570-77-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20723

Hazard Classes and CategoriesFlam. Liq. 2 (10%)

Sicherheitsdaten

wgk: WGK 3
tsca: TSCA listed
ridadr: 1993
hs_code: 29333990
risk_code: 10-34-36/38
hazard_code: Xi,C
safety_code: 22-24/25-45-36/37/39-26-36-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B