CAS No.53721-12-3,1,1'-diethyl-4,4'-bipyridinium dibromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53721-12-3
Name:	1,1'-diethyl-4,4'-bipyridinium dibromide
Article Data:	15

Formula:	C₁₄H₁₈N₂^.₂Br
Molecular Weight:	374.118
Synonyms:	Ethyl viologen dibromide;4,4'-bipyridinium, 1,1'-diethyl-, bromide (1:2);
Melting Point:	278ºC
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	7.76000
LogP:	-4.02360

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Specification

The Ethyl viologen dibromide with the CAS number 53721-12-3 is also called 1,1'-diethyl-4,4'-bipyridinium dibromide. The IUPAC name is 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium dibromide. Its molecular formula is C₁₄H₁₈N₂^.₂Br. This chemical should be stored in dry and cool environment.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 3; (4)Exact Mass: 373.981627; (5)MonoIsotopic Mass: 371.983674; (6)Topological Polar Surface Area: 7.8; (7)Heavy Atom Count: 18; (8)Formal Charge: 0; (9)Complexity: 167; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].[Br-].c2cc(c1cc[n+](cc1)CC)cc[n+]2CC
(2)InChI: InChI=1/C14H18N2.2BrH/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2
(3)InChIKey: LCEBDKLPALDQPV-NUQVWONBAA