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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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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4-Chlorobenzoic acid 99%

Sigma-Aldrich

135585

4-Chlorobenzoic acid

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
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.
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
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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