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| CAS No.: | 594-30-9 |
|---|---|
| Name: | Dichlorotriphenyl bismuth |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C18H15BiCl2 |
| Molecular Weight: | 511.204 |
| Synonyms: | Bismuthine,triphenyl-, dichloride (6CI);Dichlorotriphenylbismuth;NSC 173027;Triphenylbismuth dichloride; |
| Melting Point: | 128-142 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 5.83940 |
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Specification
The Dichlorotriphenyl bismuth, with the CAS registry number 594-30-9, is also known as Bismuth, dichlorotriphenyl-. It belongs to the product categories of Bi (Bismuth) Compounds; Classes of Metal Compounds; Hypervalent Bismuth Compounds; Semimetal Compounds; Synthetic Organic Chemistry. This chemical's molecular formula is C18H15BiCl2 and molecular weight is 511.20. Its IUPAC name is called dichloro(triphenyl)bismuth.
Physical properties of Dichlorotriphenyl bismuth: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 0; (3)Rotatable Bond Count: 3; (4)Exact Mass: 510.035464; (5)MonoIsotopic Mass: 510.035464; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 21; (8)Formal Charge: 0; (9)Complexity: 285; (10)Covalently-Bonded Unit Count: 1.
Uses of Dichlorotriphenyl bismuth: it can be used to produce 4-trifluoromethyldiphenyl ether. This reaction will need reagent N-tert-butyl-N',N',N'',N''-tetramethylguanidine and solvent tetrahydrofuran. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)(C3=CC=CC=C3)(Cl)Cl
(2)InChI: InChI=1S/3C6H5.Bi.2ClH/c3*1-2-4-6-5-3-1;;;/h3*1-5H;;2*1H/q;;;+2;;/p-2
(3)InChIKey: QWMMHFXTVYRMTO-UHFFFAOYSA-L