Methylphenothiazin-2-ylether

Methyl phenothiazin-2-yl ether

HCID 74490CAS 1771-18-2

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)Nc1ccccc1S2
InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N
Summenformel: C13H11NOS
Durchschnittliche Molmasse: 229,3 g/mol
Monoisotopische Masse: 229,05613515

Namen und Bezeichner

Bevorzugter Name: Methyl phenothiazin-2-yl ether
IUPAC: 2-methoxy-10H-phenothiazine
Lokaler Name: Methylphenothiazin-2-ylether
Englischer Name: 2-Methoxyphenothiazine
Summenformel: C13H11NOS
Molmasse: 229.3

Namen und Synonyme

2-Methoxyphenothiazine2-Methoxy-10H-phenothiazineMethyl phenothiazin-2-yl etherNSC 72107EINECS 217-195-5DTXSID70170249RefChem:157996DTXCID0092740217-195-5DLYKFPHPBCTAKD-UHFFFAOYSA-N1771-18-210H-Phenothiazine, 2-methoxy-

Weitere Namen anzeigen

2-METHOXYPHENOTHIAZMethoxyPhenoThiazine2-MethoxyPhenthiazine2-Methoxyphenothiazine>Levomepromazine Impurity 12-METHOXYPHENOTHIAZINE 95+%

Phenothiazine, 2-methoxy-MFCD00037838C13H11NOS2-Methoxy PhenothiazineCHEMBL64404Levomepromazine Maleate Imp. A (EP); Levomepromazine Imp. A (EP); 2-Methoxyphenothiazine; Levomepromazine Maleate Impurity A; Levomepromazine Impurity ANSC721072methoxy-phenothiazine

Datenbank-Bezeichner

CAS: 1771-18-2
PubChem CID: 74490
DTXSID: DTXSID70170249
ChEMBL: CHEMBL64404
ChEBI: CHEBI:125620
EC Number: 217-195-5
Nikkaji: J25.658G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 46,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-188°C
Siedepunkt: 408.1 · 408.1±34.0 °C(Predicted)
Dichte: 1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO, Methanol (Slightly)
Aggregatzustand: Solid
pka: -1.32 · -1.32±0.20(Predicted)
Farbe: Pale Grey to Pale Brown
InChI: InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N
SMILES: C1=C2C(SC3=C(N2)C=CC=C3)=CC=C1OC
CAS Datenbank: 1771 · 1771-18-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Methoxyphenothiazine(1771-18-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 60% (9 of 15) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (13.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 9 of 15 reports by companies.；There are 6 notifications provided by 6 of 15 reports by companies with hazard statement code(s).；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.