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144932

3,4-Dichlorobenzoic acid

Name: 3,4-Dichlorobenzoic acid
Brand: ALDRICH

99%

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About This Item

Linear Formula:

Cl₂C₆H₃CO₂H

CAS Number:

51-44-5

Molecular Weight:

191.01

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24848692

EC Number:

200-099-2

Beilstein/REAXYS Number:

2044777

MDL number:

MFCD00002492

Assay:

99%

Form:

solid

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Properties

Quality Level

100

assay

99%

form

solid

mp

204-206 °C (lit.)

functional group

carboxylic acid, chloro

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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)

Cometabolism of 3,4-dichlorobenzoate by Acinetobacter sp. strain 4-CB1.

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.

Multiresidue methods for the analysis of pharmaceuticals, personal care products and illicit drugs in surface water and wastewater by solid-phase extraction and ultra performance liquid chromatography-electrospray tandem mass spectrometry.

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

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Global Trade Item Number

SKU	GTIN
144932-25G	04061838736000