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| CAS No.: | 531-55-5 |
|---|---|
| Name: | Azure B |
| Molecular Structure: | |
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| Formula: | C15H16N3S.Cl |
| Molecular Weight: | 305.831 |
| Synonyms: | Azure B(6CI);Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride (8CI,9CI);Trimethylthionine (7CI);3-Methylamino-7-dimethylaminophenazathionium chloride;Azur I;Azure B chloride;Azure I;C.I. 52010;Methylene Azure;Trimethylthionine chloride; |
| EINECS: | 208-511-2 |
| Melting Point: | 205-210 °C |
| Solubility: | Soluble in water, slightly soluble in ethanol |
| Appearance: | Green crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 56.17000 |
| LogP: | -0.44840 |
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| Conditions | Yield |
|---|---|
| With pyridine; air; copper Behandeln des Reaktionsprodukts mit wss. HCl; |
- 807306-71-4
3,7-bis(dimethylamine)phenothiazonium
A
- 531-55-5
azure B
| Conditions | Yield |
|---|---|
| With silver(l) oxide Zusatz von Salzsaeure und Kochsalz zu dem aufgearbeiteten Reaktionsprodukt; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen sulfide / man faellt aus der Loesung das Methylenblau mit Zinkchlorid und Kochsalz aus 2: silver oxide / Zusatz von Salzsaeure und Kochsalz zu dem aufgearbeiteten Reaktionsprodukt View Scheme |
- 152071-32-4
methylene blue
- 531-55-5
azure B
| Conditions | Yield |
|---|---|
| With manganese(II,III) oxide at 20℃; for 0.0833333h; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 20℃; for 0.0833333h; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In water at 20℃; for 0.0833333h; |
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Specification
The Azure B with CAS registry number of 531-55-5 is also known as Trimethylthionine chloride. The IUPAC name is Dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium chloride. Its EINECS registry number is 208-511-2. In addition, the formula is C15H16N3S.Cl and the molecular weight is 305.83. This chemical is a green crystalline powder that soluble in water, slightly soluble in ethanol. It should be sealed in dry place away from oxidants. During using it, do not breathe dust and avoid contact with skin and eyes. What's more, this chemical is used as biological stain.
Physical properties about Azure B are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 28.16Å2; (5)Rotatable Bond Count: 1; (6)Exact Mass: 305.075346; (7)MonoIsotopic Mass: 305.075346; (8)Topological Polar Surface Area: 52.7; (9)Heavy Atom Count: 20; (10)Complexity: 498; (11)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
2. InChI: InChI=1S/C15H15N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9H,1-3H3;1H
3. InChIKey: DNDJEIWCTMMZBX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 65mg/kg (65mg/kg) | Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978. |