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Methylene blue trihydrate

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Methylene blue trihydrate

EINECS 200-515-2
CAS No. 7220-79-3 Density 0.98 g/mL at 25 °C
PSA 75.07000 LogP -0.69000
Solubility 4 g/100 mL in water Melting Point 190 °C (dec.)(lit.)
Formula C16H24ClN3O3S Boiling Point N/A
Molecular Weight 373.90 Flash Point 14°C
Transport Information UN 1170 3/PG 2 Appearance Dark green crystalline powder
Safety 26-36-24/25-16-7 Risk Codes 22-36/37/38-11
Molecular Structure Molecular Structure of 7220-79-3 (Methylene Blue trihydrate) Hazard Symbols HarmfulXn, FlammableF
Synonyms

3,7-Bis(dimethylamino)phenothiazin-5-ium chloride trihydrate;Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride, trihydrate;(7-dimethylaminophenothiazin-3-ylidene)-dimethyl-azanium chloride trihydrate;C.I. Basic Blue 9 trihydrate;C.I. Basic Blue 9, trihydrate (8CI);Methylene Blue Zinc Free USP27;Methylene Blue Certified;Methylene Blue USP;

 

Methylene blue trihydrate Consensus Reports

METHYLENE BLUE  is reported in EPA TSCA Inventory.

Methylene blue trihydrate Specification

The Methylene blue trihydrate with CAS registry number of 7220-79-3 is also called 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride trihydrate. The IUPAC name is N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium chloride hydrate (1:1:3). In addition, the molecular formula is C16H24ClN3O3S and the molecular weight is 373.90. It belongs to the classes of Dyes and Pigments; Cytochemistry ProductsStains and Dyes; Hematology and Histology; Stains&Dyes. And it is incompatible with bases, reducing agents, strong oxidizing agents. What's more, it should be stored in a airtight, cool and dry place.

Physical properties about Methylene blue trihydrate are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 43.91 Å2 ; (5)H-Bond Donor: 3; (6)H-Bond Acceptor: 6; (7)Rotatable Bond Count: 1; (8)Exact Mass: 373.12269; (9)MonoIsotopic Mass: 373.12269; (10)Topological Polar Surface Area: 46.9; (11)Heavy Atom Count: 24; (12)Formal Charge: 0; (13)Complexity: 483.

Preparation of Methylene blue trihydrate: you can put pure water into alkaline blue lake with stirring and accessing steam until the temperature up to 80 ~ 90 °C, slowly add hot sodium carbonate solution in 30 minutes with stirring for 10 minutes. Resting for half an hour, heat the solution no more than 90 °C, then filter the hot solution. At last, add the hydrochloric acid into the clear filtrate and cool crystallization.

Methylene blue trihydrate can be prepared by alkaline blue lake

Uses of Methylene blue trihydrate: it is mainly used for dyeing cotton, acrylic, linen, silk, paper and biological bacteria. It is also used for tinting bamboo, REDOX indicator, biochemical analysis reagent and chromogenic of some metal ions.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, irritating to eyes, respiratory system and skin and highly flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing and avoid contact with skin and eyes during using it. In addition, you should keep away from sources of ignition and keep container tightly closed.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].N=1c3c(SC=2C=1\C=C/C(=[N+](/C)C)/C=2)cc(cc3)N(C)C.O.O.O
(2)InChI: InChI=1/C16H18N3S.ClH.3H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;1H;3*1H2/q+1;;;;/p-1
(3)InChIKey: XQAXGZLFSSPBMK-REWHXWOFAC

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