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
Show more names
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
- Formal charge
- 0
- Complexity
- 248
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
- pka
- -1.32 · -1.32±0.20(Predicted)
- color
- 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 DataBase Reference
- 1771 · 1771-18-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Methoxyphenothiazine(1771-18-2)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2934309090 · 2934309090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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 information
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
- REACH Registrations
- Active
- Precautionary statements
- P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
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
Additional notes
DefinitionChEBI: 2-methoxy-10H-phenothiazine is a member of phenothiazines.
Related reactions
Compound notes
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