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| CAS No.: | 14866-43-4 |
|---|---|
| Name: | Hexadecyltriphenylphosphonium bromide |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C34H48BrP |
| Molecular Weight: | 567.633 |
| Synonyms: | Hexadecyltriphenylphosphoniumbromide (6CI,7CI);Phosphonium, hexadecyltriphenyl-, bromide (8CI,9CI);Cetyltriphenylphosphonium bromide; |
| EINECS: | 238-939-5 |
| Melting Point: | 99-101 °C |
| Solubility: | Soluble in ethanol. Slightly soluble in water. |
| Appearance: | white to light yellow solid |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 13.59000 |
| LogP: | 6.46580 |
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Specification
The Hexadecyltriphenylphosphonium bromide with the CAS number 14866-43-4 is also called Phosphonium,hexadecyltriphenyl-, bromide (1:1). Its molecular formula is C34H48BrP. The EINECS registry number is 238-939-5. This chemical is a kind of organics. It should be stored in dry and cool environment.
Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 18; (4)Exact Mass: 566.267701; (5)MonoIsotopic Mass: 566.267701; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 36; (8)Formal Charge: 0; (9)Complexity: 435; (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: 2.
Preparation: This chemical can be prepared by the reaction of triphenylphosphane and 1-bromo-hexadecane. This reaction needs solvent toluene.
While using this chemical, you should be very cautious. This chemical 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, gloves and eye/face protection. 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-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1
(3)InChIKey: UXMZNEHSMYESLH-REWHXWOFAB