Home Halogens Benzoic acid, 2-chloro-5-nitro-

Benzoic acid, 2-chloro-5-nitro-

CAS No.:
2516-96-3
Catalog Number:
AG002QP2
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$39
- +
25g
98%(GC)
In Stock USA
United States
$54
- +
100g
98%(GC)
In Stock USA
United States
$101
- +
500g
98%(GC)
In Stock USA
United States
$258
- +
Product Description
Catalog Number:
AG002QP2
Chemical Name:
Benzoic acid, 2-chloro-5-nitro-
CAS Number:
2516-96-3
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007294
IUPAC Name:
2-chloro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
QUEKGYQTRJVEQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)Cl
EC Number:
219-739-7
NSC Number:
8441
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.983g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.562g/mol
Monoisotopic Mass:
200.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
4-Chloro-2-nitro-benzoic acid-pyrazine (2/1). Acta crystallographica. Section E, Structure reports online 20111201
Octa-butyl-bis-(μ(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-μ(3)-oxido-tetra-tin(IV). Acta crystallographica. Section E, Structure reports online 20101201
Decarboxylative homocoupling of (hetero)aromatic carboxylic acids. Chemical communications (Cambridge, England) 20101121
Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20091001
Catalyst-free microwave-assisted amination of 2-chloro-5-nitrobenzoic acid. The Journal of organic chemistry 20070720
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine. Acta crystallographica. Section C, Crystal structure communications 20020401
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate. Acta crystallographica. Section C, Crystal structure communications 20011201
2:1 complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine. Acta crystallographica. Section C, Crystal structure communications 20010701
Properties