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2-Methoxyphenothiazine

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Name

2-Methoxyphenothiazine

EINECS 217-195-5
CAS No. 1771-18-2 Density 1.235 g/cm3
PSA 46.56000 LogP 4.04140
Solubility N/A Melting Point 185-188 °C
Formula C13H11NOS Boiling Point 408.1 °C at 760 mmHg
Molecular Weight 229.302 Flash Point 200.6 °C
Transport Information N/A Appearance orange yellow crystal powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1771-18-2 (2-Methoxyphenothiazine) Hazard Symbols N/A
Synonyms

Phenothiazine,2-methoxy- (6CI,7CI,8CI);2-Methoxy-10H-phenothiazine;NSC 72107;

Article Data 11

2-Methoxyphenothiazine 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.

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