(CARBETHOXYMETHYL-1,2-13C2)TRIPHENYLPHOSPHONIUM BROMIDE Chemical Properties

Melting point:

152-154 °C(lit.)

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

color 

White

InChI

1S/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;

InChIKey

VJVZPTPOYCJFNI-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 Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich

(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 suitability

reaction type: C-C Bond Formation
reaction type: Whiting Reaction

(CARBETHOXYMETHYL-1,2-13C2)TRIPHENYLPHOSPHONIUM BROMIDE(109376-35-4)Related Product Information

• (Carbethoxymethyl)triphenylphosphonium bromide
• (CARBETHOXYMETHYL-1,2-13C2)TRIPHENYLPHOSPHONIUM BROMIDE
• (2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUM BROMIDE