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Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1)

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Name

Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1)

EINECS 223-587-7
CAS No. 3968-92-1 Density N/A
PSA 13.59000 LogP 1.78300
Solubility N/A Melting Point 203-205 °C
Formula C22H24BrP Boiling Point N/A
Molecular Weight 399.31 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3968-92-1 ((2-BUTYL)TRIPHENYLPHOSPHONIUM BROMIDE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Phosphonium,(1-methylpropyl)triphenyl-, bromide (9CI);Phosphonium, sec-butyltriphenyl-,bromide (8CI);sec-Butyltriphenylphosphonium bromide (7CI);2-Butyltriphenylphosphonium bromide;

Article Data 8

Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1) Specification

The Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1), with the CAS registry number 3968-92-1, is also known as sec-Butyl(triphenyl)phosphonium bromide. Its EINECS number is 223-587-7. This chemical's molecular formula is C22H24BrP and molecular weight is 399.3. What's more, its systematic name is (1-methylpropyl)(triphenyl)phosphonium bromide. It should be sealed and stored in a dark, ventilated and dry place at the ambient temperature.

Physical properties of Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1) are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 0 Å2.

Preparation: this chemical can be prepared by 2-bromo-butane and triphenylphosphane at the temperature of 160 °C. This reaction will need solvent xylene with the reaction time of 90 hours. The yield is about 80%.

Phosphonium,(1-methylpropyl)triphenyl-, bromide (11) can be prepared by 2-bromo-butane and triphenylphosphane

Uses of Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1): it can be used to produce 1-methoxy-3-(2-methyl-but-1-enyl)-benzene at the temperature of 20 °C. It will need reagent n-BuLi and solvent tetrahydrofuran with the reaction time of 3 hours. The yield is about 59%.

3-methoxy-benzaldehyde and Phosphonium,(1-methylpropyl)triphenyl-, bromide (11) can be used to produce 1-methoxy-3-(2-methyl-but-1-enyl)-benzene

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: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)C(CC)C
(2)InChI: InChI=1/C22H24P.BrH/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: HKWAYXKPYJOYEL-REWHXWOFAI

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