Methyl phenothiazin-2-yl ether

HCID 74490

Basic information

CAS
1771-18-2
Standard SMILES
COc1ccc2c(c1)Nc1ccccc1S2
InChIKey
DLYKFPHPBCTAKD-UHFFFAOYSA-N
Molecular formula
C13H11NOS
Average molar mass
229.3 g/mol
Monoisotopic mass
229.05613515

Names & identifiers

Preferred name
Methyl phenothiazin-2-yl ether
IUPAC
2-methoxy-10H-phenothiazine
English name
2-Methoxyphenothiazine
Molecular formula
C13H11NOS
Molecular weight
229.3

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
46.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
185 · 185-188°C
Boiling point
408.1 · 408.1±34.0 °C(Predicted)
Density
1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO, Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

Regulatory InformationStatus: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18877
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Skin Sens. 1 (20%);Aquatic Chronic 2 (13.3%)

Regulatory information

Regulatory InformationStatus: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18877

Safety data

hs_code
2934309090
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS07,GHS05
safety_code
26-36/37/39
Hazard statements
H302-H314

Chemistry & industry

Applications

UsesAn impurity of Methotrimeprazine (M260785).A derivative of Phenothiazine (P318040) exhibits tuberculostatic activity.

UsesAn Impurity of Methotrimeprazine (M260785). A derivative of Phenothiazine (P318040) exhibits tuberculostatic activity.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: 2-methoxy-10H-phenothiazine is a member of phenothiazines.

Related reactions

17 records

Compound notes

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