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Methylene Violet 3RAX

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Name

Methylene Violet 3RAX

EINECS 610-268-6
CAS No. 4569-86-2 Density N/A
PSA 46.03000 LogP 1.67830
Solubility N/A Melting Point 285 °C (dec.)(lit.)
Formula C22H23ClN4 Boiling Point N/A
Molecular Weight 378.904 Flash Point N/A
Transport Information N/A Appearance dark green crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 4569-86-2 (CI 50206) Hazard Symbols N/A
Synonyms

3-Amino-7-diethylamino-5-phenylphenaziniumchloride (7CI);Safranine, diethyl- (6CI);C.I. 50206;Diethylsafranin;

Article Data 2

Methylene Violet 3RAX Synthetic route

62-53-3

aniline

93-05-0

N,N-diethylaniline

4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

Conditions
ConditionsYield
With hydrogenchloride; potassium dichromate; sodium acetate; acetic acid In water at 105℃; for 3h; Inert atmosphere; Darkness;35%
With hydrogenchloride; potassium dichromate In aq. acetate buffer at 105℃; for 3h;35%
4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)benzoic acid

C67H51N8O(1+)*Cl(1-)

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In chloroform at 60℃; for 10h;85%
4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

53-86-1

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

C41H37ClN5O3(1+)*Cl(1-)

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In chloroform at 60℃; for 12h;80%
4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

98-59-9

p-toluenesulfonyl chloride

3-(4-methylbenzenesulfonamido)-7-(diethylamino)-5-phenylphenazinium chloride

Conditions
ConditionsYield
With triethylamine In chloroform at 60℃; for 2h;78%
4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

3-bromo-7-N,N-diethylamino-5-phenyl-phenazinium bromide

Conditions
ConditionsYield
With hydrogen bromide; sodium nitrite In water at 50℃; for 2h;67%
1249429-26-2

N-(2-azidoethyl)-N-methylaniline

4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

76-05-1

trifluoroacetic acid

1432151-27-3

C31H32N9(1+)*C2F3O2(1-)

Conditions
ConditionsYield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h;
Stage #2: N-(2-azidoethyl)-N-methylaniline In acetonitrile at 0℃; for 1h;
Stage #3: trifluoroacetic acid
64%
1432151-88-6

N-methyl-N-(pent-4-ynyl)aniline

4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

76-05-1

trifluoroacetic acid

1432152-01-6

C34H35N6(1+)*C2F3O2(1-)

Conditions
ConditionsYield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With nitrosonium tetrafluoroborate In acetonitrile at 0℃; for 0.25h;
Stage #2: N-methyl-N-(pent-4-ynyl)aniline In acetonitrile at 0℃; for 1h;
Stage #3: trifluoroacetic acid
60%
85-44-9

phthalic anhydride

4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

C30H25N4O2(1+)*Cl(1-)

Conditions
ConditionsYield
With pyridine at 120℃; for 12h; Inert atmosphere;60%
4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

3-hydroxy-7-(diethylamino)-5-phenylphenazinium chloride

Conditions
ConditionsYield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With sulfuric acid In water
Stage #2: With sodium nitrite In water at -10 - 20℃; for 1.5h;
Stage #3: With sulfuric acid; water; copper(II) sulfate at 105℃; for 3h;
40%
120-07-0

2,2'-(phenylimino)bis[ethanol]

4569-86-2

3-amino-7-(diethylamino)-5-phenylphenazinium chloride

3-diethylamino-5-phenylphenazium-7-(4'-N,N-di(2-hydroxyethyl)azobenzene) chloride

Conditions
ConditionsYield
Stage #1: 3-amino-7-(diethylamino)-5-phenylphenazinium chloride With hydrogenchloride; sodium nitrite In methanol; water for 0.833333h; Cooling with ice;
Stage #2: 2,2'-(phenylimino)bis[ethanol] With sodium hydroxide In methanol; water for 1h; pH=6;
21%

Methylene Violet 3RAX Specification

This chemical is called Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride (1:1), and it can also be named as Methylene Violet 3RAX. With the molecular formula of C22H23ClN4, its molecular weight is 378.90. The CAS registry number of this chemical is 4569-86-2. In addition, this chemical should be sealed in the cool and dry plcace. Avoid contacting with skin and eyes when you use it.

Other characteristics of the Phenazinium, 3-amino-7-(diethylamino)-5-phenyl-, chloride (1:1) can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 23.25 Å2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Cl-].n1c4c([n+](c2c1ccc(N)c2)c3ccccc3)cc(cc4)N(CC)CC
2.InChI: InChI=1/C22H22N4.ClH/c1-3-25(4-2)18-11-13-20-22(15-18)26(17-8-6-5-7-9-17)21-14-16(23)10-12-19(21)24-20;/h5-15,23H,3-4H2,1-2H3;1H
3.InChIKey: MOVNSGGBTSIUGX-UHFFFAOYAS

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