Home Halogens 2,5-Dichlorobenzoic acid

2,5-Dichlorobenzoic acid

CAS No.:
50-79-3
Catalog Number:
AG003306
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003306
Chemical Name:
2,5-Dichlorobenzoic acid
CAS Number:
50-79-3
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
MDL Number:
MFCD00002416
IUPAC Name:
2,5-dichlorobenzoic acid
InChI:
InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
QVTQYSFCFOGITD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)Cl
UNII:
KP7CMR0GSD
NSC Number:
41889
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.007g/mol
Monoisotopic Mass:
189.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Photosensitized degradation of 2,4',5-trichlorobiphenyl (PCB 31) by dissolved organic matter. Journal of hazardous materials 20120130
Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901
A small molecule with differential effects on the PTS1 and PTS2 peroxisome matrix import pathways. The Plant journal : for cell and molecular biology 20110301
Methyl 2,5-dichloro-benzoate. Acta crystallographica. Section E, Structure reports online 20081001
Screening of organic halogens and identification of chlorinated benzoic acids in carbonaceous meteorites. Chemosphere 20050901
Diversity of biphenyl degraders in a chlorobenzene polluted aquifer. Chemosphere 20050101
Molecular diversity in the bacterial community and the fluorescent pseudomonads group in natural and chlorobenzoate-stressed peat-forest soil. Microbiological research 20030101
Quantitation in gradient high performance liquid chromatography/inductively coupled mass spectrometry investigated using diclofenac and chlorpromazine. Rapid communications in mass spectrometry : RCM 20020101
Properties