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Home Nitros 4-Chloro-3,5-dinitrobenzoic acid

4-Chloro-3,5-dinitrobenzoic acid

CAS No.:
118-97-8
Catalog Number:
AG0077YM
Molecular Formula:
C7H3ClN2O6
Molecular Weight:
246.5615
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0077YM
Chemical Name:
4-Chloro-3,5-dinitrobenzoic acid
CAS Number:
118-97-8
Molecular Formula:
C7H3ClN2O6
Molecular Weight:
246.5615
MDL Number:
MFCD00007080
IUPAC Name:
4-chloro-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)
InChI Key:
PCTFIHOVQYYAMH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O
EC Number:
204-290-1
NSC Number:
76583
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.968g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.559g/mol
Monoisotopic Mass:
245.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO-LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701
Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise. BMC microbiology 20120101
Methyl 2-(4-chloro-3,5-dinitro-benz-amido)-acetate. Acta crystallographica. Section E, Structure reports online 20111201
Isopropyl 4-chloro-3,5-dinitro-benzoate. Acta crystallographica. Section E, Structure reports online 20101101
Physicochemical and toxicological studies on 4-chloro-3,5-dinitrobenzoic acid in aqueous solutions. Environmental toxicology and chemistry 20040501
Degradation of nitroaromatic compounds by the UV-H2O2 process using polychromatic radiation sources. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020701
Properties