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Home Halogens Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate

Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate

CAS No.:
30431-54-0
Catalog Number:
AG003032
Molecular Formula:
C26H24Cl6O8
Molecular Weight:
677.1820
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%(HPLC)
In Stock USA
United States
$41
- +
5g
95%(HPLC)
In Stock USA
United States
$87
- +
25g
95%(HPLC)
In Stock USA
United States
$293
- +
Product Description
Catalog Number:
AG003032
Chemical Name:
Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate
CAS Number:
30431-54-0
Molecular Formula:
C26H24Cl6O8
Molecular Weight:
677.1820
MDL Number:
MFCD00191674
IUPAC Name:
bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate
InChI:
InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChI Key:
TZZLVFUOAYMTHA-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1c(OC(=O)C(=O)Oc2c(Cl)cc(c(c2C(=O)OCCCCC)Cl)Cl)c(Cl)cc(c1Cl)Cl
EC Number:
250-195-3
Properties
Complexity:
795  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
675.957g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
677.17g/mol
Monoisotopic Mass:
673.96g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6  
Literature
Title Journal
Improved microfluidic chip-based sequential-injection trapped-droplet array liquid-liquid extraction system for determination of aluminium. Talanta 20081019
An electrochemiluminescent biosensor for uric acid based on the electrochemiluminescence of bis-[3,4,6-trichloro-2-(pentyloxycarbonyl)-phenyl] oxalate on an ITO electrode modified by an electropolymerized nickel phthalocyanine film. The Analyst 20080601
Rate constants of hydroperoxyl radical addition to cyclic nitrones: a DFT study. The journal of physical chemistry. A 20071004
A new electrochemiluminescent sensing system for glucose based on the electrochemiluminescent reaction of bis-[3,4,6-trichloro-2-(pentyloxycarbonyl)-phenyl] oxalate. Talanta 20070615
A sensitive semi-micro column HPLC method with peroxyoxalate chemiluminescence detection and column switching for determination of MDMA-related compounds in hair. Analytical and bioanalytical chemistry 20070301
Properties