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144932

Sigma-Aldrich

3,4-Dichlorobenzoic acid

99%

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About This Item

Linear Formula:
Cl2C6H3CO2H
CAS Number:
51-44-5
Molecular Weight:
191.01
Beilstein:
2044777
EC Number:
200-099-2
MDL number:
MFCD00002492
UNSPSC Code:
12352100
PubChem Substance ID:
24848692
NACRES:
NA.22

Assay

99%

form

solid

mp

204-206 °C (lit.)

SMILES string

OC(=O)c1ccc(Cl)c(Cl)c1

InChI

1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)

InChI key

VPHHJAOJUJHJKD-UHFFFAOYSA-N

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Application

3,4-Dichlorobenzoic acid was employed as internal standard during the multiresidue analysis of pharmaceuticals and personal care products by ultra performance liquid chromatography-positive/negative electrospray tandem mass spectrometry. It was used to study the metabolic fate of 4-chloro-3,5-dinitrobenzoic acid.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

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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Fate of substituted benzoates in the freshwater green alga, Chlamydomonas reinhardtii 11-32b.
Gutenkauf A, et al.
Biodegradation, 9(5), 359-368 (1998)
Barbara Kasprzyk-Hordern et al.
Analytical and bioanalytical chemistry, 391(4), 1293-1308 (2008-02-07)
The main aim of the presented research is to introduce a new technique, ultra performance liquid chromatography-positive/negative electrospray tandem mass spectrometry (UPLC-ESI/MS/MS), for the development of new simultaneous multiresidue methods (over 50 compounds). These methods were used for the determination
K Umehara et al.
Drug metabolism and disposition: the biological fate of chemicals, 28(8), 887-894 (2000-07-20)
The metabolism of 1-(3,4-dichlorobenzyl)-5-octylbiguanide (OPB-2045), a new potent biguanide antiseptic, was investigated using rat and dog liver preparations to elucidate the mechanism of OPB-2045 metabolite formation, in which the octyl side chain is reduced to four, five, or six carbon
P Adriaens et al.
Applied and environmental microbiology, 57(1), 173-179 (1991-01-01)
When Acinetobacter sp. strain 4-CB1 was grown on 4-chlorobenzoate (4-CB), it cometabolized 3,4-dichlorobenzoate (3,4-DCB) to 3-chloro-4-hydroxybenzoate (3-C-4-OHB), which could be used as a growth substrate. No cometabolism of 3,4-DCB was observed when Acinetobacter sp. strain 4-CB1 was grown on benzoate.
Yoshiteru Noutoshi et al.
Scientific reports, 2, 705-705 (2012-10-11)
Plant activators are agrochemicals that protect crops from pathogens. They confer durable resistance to a broad range of diseases by activating intrinsic immune mechanisms in plants. To obtain leads regarding useful compounds, we have screened a chemical library using an

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