(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide

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(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Basic information
Product Name:(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
Synonyms:(carbethoxymethyl-1,2-13C2)triphenyl-phosphonium;(CARBETHOXYMETHYL-1 2-13C2)TRIPHENYL- &;(CARBETHOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE, [1,2-13C2];[13C2]-Ethoxycarbonylmethyltriphenyl phosphonium Bromide;(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide;(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
CAS:109376-35-4
MF:C22H22O2P.Br
MW:431.27
EINECS:
Product Categories:Wittig Reagents;C-C Bond Formation;Olefination
Mol File:109376-35-4.mol
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Structure
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Chemical Properties
Melting point 152-154 °C(lit.)
solubility Chloroform (Slightly), Methanol (Slightly)
form Solid
color White
InChI1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1/i18+1,22+1;
InChIKeyVJVZPTPOYCJFNI-WWPGYFPTSA-M
SMILES[Br-].CCO[13C](=O)[13CH2][P+](c1ccccc1)(c2ccccc2)c3ccccc3
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-37/39
WGK Germany 3
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Usage And Synthesis
Uses(Ethoxycarbonylmethyl)triphenylphosphonium-13C2 bromide is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system.
reaction suitabilityreaction type: C-C Bond Formation
reaction type: Whiting Reaction
(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Preparation Products And Raw materials
Tag:(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide(109376-35-4) Related Product Information
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