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2-Methoxyphenothiazine (1771-18-2)

Identification
Name:2-Methoxyphenothiazine
Synonyms:Phenothiazine,2-methoxy- (6CI,7CI,8CI); 2-Methoxy-10H-phenothiazine;Methyl phenothiazin-2-yl ether
CAS:1771-18-2
EINECS: 217-195-5
Molecular Formula: C13H11NOS
Molecular Weight: 229.3
InChI: InChI=1/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
Molecular Structure: (C13H11NOS) Phenothiazine,2-methoxy- (6CI,7CI,8CI); 2-Methoxy-10H-phenothiazine;Methyl phenothiazin-2-yl ether
Properties
Flash Point: 200.6ºC
Boiling Point: 408.1 ºC at 760 mmHg
Density:1.235 g/cm3
Refractive index:1.646
Appearance:orange yellow crystal powder
Specification:

The IUPAC name of 10H-Phenothiazine,2-methoxy- is 2-methoxy-10H-phenothiazine. With the CAS registry number 1771-18-2, it is also named as 2-Methoxyphenothiazine; Phenothiazine, 2-methoxy- (8CI); NSC 72107; methyl phenothiazin-2-yl ether.  The product's categorie is xanthones.

The 10H-Phenothiazine,2-methoxy- is light yellow or light gray solid which is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.  

This product can be used in many organic synthesis. For example: It can react with homolupinanoylchloride hydrochloride to get 1-(2-methoxy-phenothiazin-10-yl)-2-(octahydro-quinolizin-1-yl)-ethanone.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1321.66; (6)ACD/BCF (pH 7.4): 1321.66; (7)ACD/KOC (pH 5.5): 5966.19; (8)ACD/KOC (pH 7.4): 5966.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 67.37 cm3; (14)Molar Volume: 185.5 cm3; (15)Polarizability: 26.7×10-24 cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Enthalpy of Vaporization: 66.01 kJ/mol; (18)Vapour Pressure: 7.17E-07 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 229.056135; (21)MonoIsotopic Mass: 229.056135; (22)Topological Polar Surface Area: 46.6; (23)Heavy Atom Count: 16.

People can use the following data to convert to the molecule structure. SMILES: O(c2cc1Nc3c(Sc1cc2)cccc3)C; InChI: InChI=1/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-UHFFFAOYAC. 10H-Phenothiazine,2-methoxy- has many suppliers, such as Shanghai Lingde Chemical Technology Co., Ltd..  The price of this product changes with the market.

Flash Point: 200.6ºC
Safety Data