CAS No.14366-74-6,[4-(BROMOMETHYL)BENZYL]TRIPHENYLPHOSPHONIUM BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14366-74-6
Name:	[4-(BROMOMETHYL)BENZYL]TRIPHENYLPHOSPHONIUM BROMIDE
Article Data:	7

Formula:	C₂₆H₂₃Br₂P
Molecular Weight:	526.25
Synonyms:	Phosphonium,[[4-(bromomethyl)phenyl]methyl]triphenyl-, bromide (9CI);Phosphonium, [p-(bromomethyl)benzyl]triphenyl-,bromide (8CI);[p-(Bromomethyl)benzyl]triphenylphosphonium bromide (6CI);NSC 81281;
EINECS:	-0
Melting Point:	270-273 °C
Appearance:	almost white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	13.59000
LogP:	3.07960

Total:19 Page 1 of 1 1

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Specification

The Phosphonium, [[4-(bromomethyl)phenyl]methyl]triphenyl-, bromide (1:1), with the CAS registry number 14366-74-6, is also known as Phosphonium, [p- (bromomethyl)benzyl]triphenyl-, bromide. This chemical's molecular formula is C₂₆H₂₃Br₂P and molecular weight is 526.24. What's more, its IUPAC name is [4-(Bromomethyl)phenyl]methyl-triphenylphosphanium bromide. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from contact with light, oxidant, acid.

Physical properties about Phosphonium, [[4-(bromomethyl)phenyl]methyl]triphenyl-, bromide (1:1) are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 6; (4)Exact Mass: 525.988366; (5)MonoIsotopic Mass: 523.990412; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 29; (8)Formal Charge: 0; (9)Complexity: 392; (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, [[4-(bromomethyl)phenyl]methyl]triphenyl-, bromide (1:1): it is used to produce other chemicals. For example, it is used to produce 1-{p-[(Triphenylphosphonio)methyl]benzyl}quinaldinium diperchlorate. The reaction needs reagent NaClO₄ and solvent Dimethylformamide. The reaction time is 1.5 hours with reaction temperature of 125 °C. The yield is about 33 %.

Uses of Phosphonium, [[4-(bromomethyl)phenyl]methyl]triphenyl-, bromide (1:1) can react with 2-Methyl-quinoline to get 1-{p-[(Triphenylphosphonio)methyl]benzyl}quinaldinium diperchlorate.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves 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) SMILES: [Br-].BrCc1ccc(cc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C26H23BrP.BrH/c27-20-22-16-18-23(19-17-22)21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,20-21H2;1H/q+1;/p-1
(3) InChIKey: KUXBEOGHKWNPTG-REWHXWOFAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01675,