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C38907

Sigma-Aldrich

4-Chloro-3,5-dinitrobenzoic acid

97%

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About This Item

Linear Formula:
ClC6H2(NO2)2CO2H
CAS Number:
118-97-8
Molecular Weight:
246.56
Beilstein:
668253
EC Number:
204-290-1
MDL number:
MFCD00007080
UNSPSC Code:
12352100
PubChem Substance ID:
24892652
NACRES:
NA.22

Assay

97%

form

crystals

mp

159-162 °C (lit.)

SMILES string

OC(=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O

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

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

4.1A - Other explosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A A Jacobs et al.
Biochimica et biophysica acta, 872(1-2), 92-97 (1986-07-25)
Modification of lysine residues with 4-chloro-3,5-dinitrobenzoate results in the loss of the binding capacity of K99 fibrillae to horse erythrocytes (Jacobs, A.A.C., van Mechelen, J.R. and de Graaf, F.K. (1985) Biochim. Biophys. Acta 832, 148-155). In the present study we
J Thiele et al.
Applied and environmental microbiology, 54(5), 1199-1202 (1988-05-01)
4-Chlorobenzoate dehalogenase from Pseudomonas sp. strain CBS3 converted 4-chloro-3,5-dinitrobenzoate to 3,5-dinitro-4-hydroxybenzoate and 1-chloro-2,4-dinitrobenzene to 2,4-dinitrophenol. The activities were 0.13 mU/mg of protein for 4-chloro-3,5-dinitrobenzoate and 0.16 mU/mg of protein for 1-chloro-2,4-dinitrobenzene compared with 0.5 mU/mg of protein for 4-chlorobenzoate.
H Greim et al.
Advances in experimental medicine and biology, 136 Pt B, 1389-1398 (1981-01-01)
Metabolic inactivation of chemicals may prevent toxic effects of reactive intermediates when present at low levels whereas inactivation may be overcome at high levels changing dose-effect relation. This is demonstrated in various in vitro test systems: a) Monooxygenase-mediated metabolism causes
S R Lin et al.
Biochemistry and molecular biology international, 31(1), 175-184 (1993-09-01)
Cardiotoxin III (CTX III), a major cardiotoxin analogue isolated from the Taiwan cobra (Naja naja atra) venom was modified, either with trinitrobenzene sulfonate (TNBS) or 4-chloro-3,5-dinitrobenzoate (CDNB). Under the conditions of limited reagent availability, three mono-TNP derivatives modified at Lys-5
Jorge L Lopez et al.
Environmental toxicology and chemistry, 23(5), 1129-1135 (2004-06-08)
Physicochemical characterization of hazardous compounds often is required for the development of structure-reactivity correlations. Physical, chemical, and toxicological properties of target pollutants require determination for an efficient application of wastewater treatments. In the present work, we chose a chloro-nitro-aromatic derivative
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