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CAS No.: | 15546-42-6 |
---|---|
Name: | TETRAMETHYLENEBIS(TRIPHENYLPHOSPHONIUM BROMIDE) |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C40H38Br2P2 |
Molecular Weight: | 740.497 |
Synonyms: | Phosphonium,1,4-butanediylbis[triphenyl-, dibromide (9CI);Phosphonium, tetramethylenebis[triphenyl-,dibromide (8CI);Tetramethylenebis[triphenylphosphonium bromide] (6CI);Tetramethylenebis[triphenylphosphonium] dibromide (7CI);1,4-Butanediylbis(triphenylphosphonium) dibromide;Butane-1,4-diylbis(triphenylphosphonium) dibromide; |
EINECS: | 239-598-5 |
Melting Point: | 292-293 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 27.18000 |
LogP: | 1.76280 |
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The Phosphonium,1,1'-(1,4-butanediyl)bis[1,1,1-triphenyl-, bromide (1:2), with the CAS registry number 15546-42-6, is also known as Butane-1,4-diylbis(triphenylphosphonium) dibromide. Its EINECS number is 239-598-5. This chemical's molecular formula is C40H38Br2P2 and molecular weight is 740.49. What's more, its IUPAC name is triphenyl(4-triphenylphosphaniumylbutyl)phosphanium dibromide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides and light.
Computational chemistry data of Phosphonium,1,1'-(1,4-butanediyl)bis[1,1,1-triphenyl-, bromide (1:2) are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 11; (4)Exact Mass: 740.079503; (5)MonoIsotopic Mass: 738.081549; (6)Heavy Atom Count: 44; (7)Formal Charge: 0; (8)Complexity: 585; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Bond StereoCenter Count: 0; (12)Covalently-Bonded Unit Count: 3.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)[P+](CCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC= CC=C5)C6=CC=CC=C6.[Br-].[Br-]
(2)InChI: InChI=1S/C40H38P2.2BrH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,19-20,33-34H2;2*1H/q+2;;/p-2
(3)InChIKey: WTFXVDWCEPLDDY-UHFFFAOYSA-L