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

Base Information

Chemical Name:(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
CAS No.:109376-35-4
Molecular Formula:Br*C₂₂H₂₂O₂P
Molecular Weight:431.271
Hs Code.:
European Community (EC) Number:806-404-0
Mol file:109376-35-4.mol

Synonyms:(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide;109376-35-4;J-002275

Suppliers and Price of (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(Ethoxycarbonylmethyl)triphenylphosphonium-13C2Bromide
1g
$ 265.00

TRC
(Ethoxycarbonylmethyl)triphenylphosphonium-13C2Bromide
500mg
$ 170.00

Total 4 raw suppliers

Chemical Property of (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide

Chemical Property:

Melting Point:152-154 °C(lit.)
PSA：39.89000
LogP:0.54760
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:431.06861
Heavy Atom Count:26
Complexity:359

Purity/Quality:

99% ^*data from raw suppliers

(Ethoxycarbonylmethyl)triphenylphosphonium-13C2Bromide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br
Isomeric SMILES:CCO[13C](=O)[13CH2][P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.Br
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.

Technology Process of (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide

There total 1 articles about (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.5%