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Xanthylium,3,6-bis(diethylamino)-, chloride (1:1)(CAS No. 2150-48-3)

Xanthylium,3,6-bis(diethylamino)-, chloride (1:1) C21H27N2O.Cl (cas 2150-48-3) Molecular Structure

2150-48-3 Structure

Identification and Related Records

【Name】
Xanthylium,3,6-bis(diethylamino)-, chloride (1:1)
【Iupac name】
[6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride
【CAS Registry number】
2150-48-3
【Synonyms】
Ammonium,[6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride (8CI)
Ethanaminium,N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride
Pyronine B (6CI)
Xanthylium, 3,6-bis(diethylamino)-, chloride (9CI)
[6-(Diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride (7CI)
C.I.45010
Pyronin B
Pyronine B(By)
【EINECS(EC#)】
218-429-9
【Molecular Formula】
C21H27 N2 O . Cl (Products with the same molecular formula)
【Molecular Weight】
358.95
【Inchi】
InChI=1/C21H27N2O.4ClH.Fe/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;;/h9-15H,5-8H2,1-4H3;4*1H;/q+1;;;;;+3/p-4
【Canonical SMILES】
CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
【MOL File】
2150-48-3.mol

Chemical and Physical Properties

【Melting Point】
174-176 ºC
【Computed Properties】
Molecular Weight:358.90488 [g/mol]
Molecular Formula:C21H27ClN2O
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:358.181191
MonoIsotopic Mass:358.181191
Topological Polar Surface Area:15.5
Heavy Atom Count:25
Formal Charge:0
Complexity:530
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R68
【Safety Statements 】
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, NOx, and NH3.
【Safety】

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl, NOx, and NH3.
 

Hazard Codes: HarmfulXn
Risk Statements: 
R68:Possible risk of irreversible effects.
Safety Statements: 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

【Specification】

 (6-(Diethylamino)-3H-xanthen-3-ylidine)diethylammonium chloride ,its cas register number is 2150-48-3. It also can be called Pyronine B ; Xanthylium, 3,6-bis(diethylamino)-, chloride (1:1) ; Ethanaminium, N-[6- (diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride and Ammonium, [6- (diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride .

【Report】

Reported in EPA TSCA Inventory.

Supplier Location

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