CAS No.13423-48-8,N-HEPTYLTRIPHENYLPHOSPHONIUM BROMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13423-48-8
Name:	N-HEPTYLTRIPHENYLPHOSPHONIUM BROMIDE
Article Data:	20

Formula:	C₂₅H₃₀BrP
Molecular Weight:	441.391
Synonyms:	Heptyltriphenylphosphoniumbromide (7CI);Phosphonium, heptyltriphenyl-, bromide (8CI,9CI);Triphenylheptylphosphonium bromide;n-Heptyltriphenylphosphonium bromide;
EINECS:	236-539-5
Melting Point:	173-176 °C(lit.)
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	13.59000
LogP:	2.95490

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Specification

The Phosphonium,heptyltriphenyl-, bromide (1:1) is an organic compound with the formula C₂₅H₃₀BrP. The IUPAC name of this chemical is heptyl(triphenyl)phosphanium bromide. With the CAS registry number 13423-48-8, it is also named as n-Heptyltriphenylphosphonium Bromide. The product's categories are Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents. Besides, it is a white fine crystalline powder.

Preparation: this chemical can be prepared by triphenylphosphane and 1-bromo-heptane. This reaction will need reagent benzonitrile. The reaction reaction temperature is 140 °C. The yield is about 89%.

Uses of Phosphonium,heptyltriphenyl-, bromide (1:1): it can be used to produce 2,2-dimethyl-4-oct-1-enyl-[1,3]dioxolane at temperature of -78 °C. This reaction is a kind of Wittig olefination. It will need reagent n-BuLi and solvent tetrahydrofuran. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, 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)CCCCCCC
(2)InChI: InChI=1/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(3)InChIKey: WCZSOHSGMBVYFW-REWHXWOFAE
(4)Std. InChI: InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M