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Basic Information
CAS No.: 69891-92-5
Name: 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
Molecular Structure:
Molecular Structure of 69891-92-5 (2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide)
Formula: C24H26O2P.Br
Molecular Weight: 457.347
Synonyms: Phosphonium,[2-(1,3-dioxan-2-yl)ethyl]triphenyl-, bromide (9CI);[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphoniumbromide;
EINECS: 274-189-5
Melting Point: 193-195 °C(lit.)
Solubility: Soluble in water
Appearance: white to light brown powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 32.05000
LogP: 1.13760
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Chemistry

Molecular Structure of 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide (CAS NO.69891-92-5):

IUPAC Name: 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide 
Empirical Formula: C24H26BrO2P
Molecular Weight: 457.3398
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 18.46Å2
EINECS: 274-189-5
Melting point: 193-195 °C(lit.)
Sensitive: Moisture Sensitive
BRN: 4117571
Product Categories: Dioxanes; Dioxanes & Dioxolanes; Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents
InChI
InChI=1/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
Smiles
[BrH-].C1COC(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)OC1

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-21

Specification

  2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide , with CAS number of 69891-92-5, can be called phosphonium, [2-(1,3-dioxan-2-yl)ethyl]triphenyl-, bromide (1:1) ; [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide . It is a white to light brown powder.