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7333-51-9

Basic Information
CAS No.: 7333-51-9
Name: CYCLOHEXYLTRIPHENYLPHOSPHONIUM BROMIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 7333-51-9 (CYCLOHEXYLTRIPHENYLPHOSPHONIUM BROMIDE)
Formula: C24H26BrP
Molecular Weight: 425.348
Synonyms: Cyclohexyltriphenylphosphoniumbromide (7CI);Phosphonium, cyclohexyltriphenyl-, bromide (8CI,9CI);cyclohexyl(triphenyl)phosphonium bromide;Phosphonium, cyclohexyltriphenyl-, bromide (1:1);Cyclohexyl(triphenyl)phosphonium bromide;
EINECS: 230-834-2
Melting Point: 265-272 °C
Appearance: white to beige crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 13.59000
LogP: 2.31720
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Specification

The Phosphonium,cyclohexyltriphenyl-, bromide (1:1), with the CAS registry number 7333-51-9 and EINECS registry number 230-834-2, has the systematic name and IUPAC name of cyclohexyl(triphenyl)phosphonium bromide. It is a kind of white to beige crystalline powder, and the molecular formula of the chemical is C24H26BrP.

The characteristics of Phosphonium,cyclohexyltriphenyl-, bromide (1:1) are as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor 1; (3)Rotatable Bond Count: 4; (4)Exact Mass: 424.09555; (5)MonoIsotopic Mass: 424.09555; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 26; (8)Formal Charge: 0; (9)Complexity: 333; (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.   

Uses of Phosphonium,cyclohexyltriphenyl-, bromide (1:1): It can react with benzaldehyde to produce cyclohexylidene-phenyl-methane. This reaction will need reagent 20% BuLi, and the menstruum tetrahydrofuran and hexane. The reaction time is 6 hours with heating, and the yield is about 48%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)C4CCCCC4
(2)InChI: InChI=1/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
(3)InChIKey: QRAKRDZMIONMRZ-REWHXWOFAU