Product Name

  • Name

    Azure B

  • EINECS 208-511-2
  • CAS No. 531-55-5
  • Article Data6
  • CAS DataBase
  • Density
  • Solubility Soluble in water, slightly soluble in ethanol
  • Melting Point 205-210 °C
  • Formula C15H16N3S.Cl
  • Boiling Point
  • Molecular Weight 305.831
  • Flash Point
  • Transport Information
  • Appearance Green crystalline powder
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 531-55-5 (Azure B)
  • Hazard Symbols
  • 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;
  • PSA 56.17000
  • LogP -0.44840

Synthetic route

3,7-bis(dimethylamine)phenothiazonium
807306-71-4

3,7-bis(dimethylamine)phenothiazonium

A

azure A
531-53-3

azure A

B

azure B
531-55-5

azure B

Conditions
ConditionsYield
With pyridine; air; copper Behandeln des Reaktionsprodukts mit wss. HCl;
3,7-bis(dimethylamine)phenothiazonium
807306-71-4

3,7-bis(dimethylamine)phenothiazonium

A

azure B
531-55-5

azure B

B

2-amino-7-dimethylamino-phenazthionium chloride ; 7-dimethylamino-2-oxy-phenazthionium chloride

2-amino-7-dimethylamino-phenazthionium chloride ; 7-dimethylamino-2-oxy-phenazthionium chloride

Conditions
ConditionsYield
With silver(l) oxide Zusatz von Salzsaeure und Kochsalz zu dem aufgearbeiteten Reaktionsprodukt;
4-amino-N,N-dimethylaniline
99-98-9

4-amino-N,N-dimethylaniline

azure B
531-55-5

azure B

Conditions
ConditionsYield
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
methylene blue
152071-32-4

methylene blue

azure B
531-55-5

azure B

Conditions
ConditionsYield
With manganese(II,III) oxide at 20℃; for 0.0833333h; Reagent/catalyst;
azure B
531-55-5

azure B

[11C]methyl triflate
145577-00-0

[11C]methyl triflate

[N-methyl-11C]methylene blue

[N-methyl-11C]methylene blue

Conditions
ConditionsYield
With potassium carbonate at 20℃; for 0.0833333h;
[11C]methyl trifluoromethanesulfonate
165378-76-7

[11C]methyl trifluoromethanesulfonate

azure B
531-55-5

azure B

[N-methyl-11C]methylene blue

[N-methyl-11C]methylene blue

Conditions
ConditionsYield
With potassium carbonate In water at 20℃; for 0.0833333h;

Azure B 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.

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