CAS No.2390-59-2,ETHYL VIOLET Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2390-59-2
Name:	ETHYL VIOLET
Article Data:	12

Formula:	C₃₁H₄₂ClN₃
Molecular Weight:	492.148
Synonyms:	C.I. BasicViolet 4 (7CI,8CI);Ethanaminium, N-[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,chloride (9CI);Ethyl violet (6CI);Basic Violet 4;C.I. 42600;Ethyl VioletAX;Ethyl Violet GGA;Ethyl crystal violet;Lowacryl Violet 4;Shikiso AcidBrilliant Blue 6B;Tris(p-(diethylamino)phenyl)methylium chloride;
EINECS:	219-231-5
Density:	0.9659 (rough estimate)
Melting Point:	>250°C
Boiling Point:	631.13°C (rough estimate)
Solubility:	10 mg/mL in water
Appearance:	green to olive-green crystalline powder
Safety:	24/25
PSA:	9.49000
LogP:	3.80420

Synthetic route

: 135-91-1
4-(4-(diethylamino)benzyl)-N,N-diethylbenzenamine

: 91-66-7
N,N-diethylaniline

: 2390-59-2
ethyl violet

Conditions

Conditions	Yield
Stage #1: 4-(4-(diethylamino)benzyl)-N,N-diethylbenzenamine; N,N-diethylaniline With chloranil; acetic acid In chloroform at 65℃; for 6h; Stage #2: With hydrogenchloride In water at 80℃;	91.3%
With copper(I) sulfate; copper(II) sulfate

: 56-23-5
tetrachloromethane

: 91-66-7
N,N-diethylaniline

A: 2390-59-2
ethyl violet

B: 25275-06-3, 47743-68-0
bis[4-(diethylamino)phenyl][4-(diethylammonio)phenyl]methylium

Conditions

Conditions	Yield
With aluminium trichloride at 70 - 80℃; dann auf 100-110grad;

...Expand

: 75-44-5
phosgene

: 91-66-7
N,N-diethylaniline

: 2390-59-2
ethyl violet

Conditions

Conditions	Yield
With zinc(II) chloride at 50℃;
With aluminium trichloride at 20 - 30℃;

: 90-93-7
4,4'-bis(diethylamino)benzophenone

: 91-66-7
N,N-diethylaniline

: 2390-59-2
ethyl violet

Conditions

Conditions	Yield
With chlorinated chlorocarbonic acid ester
With phosgene
With aluminium trichloride
With phosphorus trichloride

: 91-66-7
N,N-diethylaniline

: 503-38-8
trichloromethyl chloroformate

: 2390-59-2
ethyl violet

Conditions

Conditions	Yield
With zinc(II) chloride
With zinc(II) chloride

: 596-49-6
ethyl violet

: 2390-59-2
ethyl violet

Conditions

Conditions	Yield
In water Equilibrium constant;

4.4'.4''-tris-diethylamino-triphenylmethane: 4.4'.4''-tris-diethylamino-triphenylmethane

: 2390-59-2
ethyl violet

: 143-33-9
sodium cyanide

: 2390-59-2
ethyl violet

: 81618-24-8
tris-(4-diethylamino-phenyl)-acetonitrile

Conditions

Conditions	Yield
With dimethyl sulfoxide

: 2390-59-2
ethyl violet

: 596-49-6
ethyl violet

Conditions

Conditions	Yield
With hydroxide In water Equilibrium constant; Rate constant;
With sodium hydroxide In water at 25℃; Kinetics; Concentration; Micellar solution;

: 2390-59-2
ethyl violet

bovine serum albumin: bovine serum albumin

A: 90-93-7
4,4'-bis(diethylamino)benzophenone

B: 4865-00-3
leuco ethyl crystal violet

Conditions

Conditions	Yield
Stage #1: ethyl violet; bovine serum albumin In phosphate buffer at 20℃; pH=7.3; Noncovalent binding generation; Irradiation; Stage #2: In phosphate buffer at 20℃; pH=7.3; Oxidation; Reduction; Photolysis; Title compound not separated from byproducts;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of Ethyl Violet AX is 2390-59-2. The IUPAC name is N-(4-{bis[4-(diethylamino)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)-N-ethylethanaminium chloride. Its EINECS registry number is 219-231-5. In addition, the molecula formula is C₃₁H₄₂ClN₃ and the molecular weight is 492.13828. It belongs to the classes of Organics; Analytical Chemistry; Ion Association. It is a green to olive-green crystalline powder. And it should be stored in a airtight, cool and dry place.

Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 9.49 ?2; (5)H-Bond Donor: 0; (6)H-Bond Acceptor: 3; (7)Rotatable Bond Count: 10; (8)Exact Mass: 491.306726; (9)MonoIsotopic Mass: 491.306726; (10)Topological Polar Surface Area: 9.5; (11)Heavy Atom Count: 35; (12)Formal Charge: 0; (13)Complexity: 615; (14)Isotope Atom Count: 0; (15)Defined Atom StereoCenter Count: 0; (16)Undefined Atom StereoCenter Count: 0; (17)Defined Bond StereoCenter Count: 0; (18)Undefined Bond StereoCenter Count 0; (19)Covalently-Bonded Unit Count 2.

When you are using this chemical, please be cautious about it as the following:
It is slightly harmful to the water, so you shoud not let a large number of this products contact with the groundwater, the waterway or sewage system. If anarchic license, do not put this material into surroundings. During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[N+](=C/1\C=C/C(C=C\1)=C(\c2ccc(N(CC)CC)cc2)c3ccc(N(CC)CC)cc3)(\CC)CC
(2)InChI: InChI=1/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1
(3)InChIKey: JVICFMRAVNKDOE-REWHXWOFAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	320mg/kg (320mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.