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1530-36-5

Basic Information
CAS No.: 1530-36-5
Name: 2-METHYLBENZYL TRIPHENYLPHOSPHONIUM BROMIDE
Article Data: 15
Molecular Structure:
Molecular Structure of 1530-36-5 (2-METHYLBENZYL TRIPHENYLPHOSPHONIUM BROMIDE)
Formula: C26H24BrP
Molecular Weight: 447.354
Synonyms: Phosphonium,(o-methylbenzyl)triphenyl-, bromide (7CI,8CI);Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide (9CI);(2-Methylbenzyl)triphenylphosphonium bromide;(o-Methylbenzyl)triphenylphosphonium bromide;NSC 77140;[(2-Methylphenyl)methyl]triphenylphosphonium bromide;
EINECS: 216-227-5
Melting Point: 265 °C
Appearance: White powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 13.59000
LogP: 2.49310
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Specification

The Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide is an organic compound with the formula C26H24BrP. The IUPAC name of this chemical is (2-Methylphenyl)methyl-triphenylphosphanium bromide. With the CAS registry number 1530-36-5, it is also named as Phosphonium, (o-methylbenzyl)triphenyl-, bromide. Besides, it is white powder, which should be stored in a cool, sealed, dry, well-ventilated, lightproof place.

Physical property about Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide is: (1)#Freely Rotating Bonds: 5.

Preparation: this chemical can be prepared by Triphenylphosphane. This reaction will need solvent toluene. The reaction time is 2 hours with reaction temperature of 80 °C.

Uses of Phosphonium,[(2-methylphenyl)methyl]triphenyl-, bromide: it can be used to produce 2,2'-Dimethyl-stilbene. It will need reagent lithium methoxide and solvent methanol with reaction time of 18 hours. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and eye/face protection. 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)InChI: InChI=1/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
(2)InChIKey: XDCQNYYELACHOT-REWHXWOFAR
(3)Std. InChI: InChI=1S/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
(4)Std. InChIKey: XDCQNYYELACHOT-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00606,