36544

Supelco

Chloroacetic acid

PESTANAL®, analytical standard

Synonym(s):
Monochloroacetic acid
Linear Formula:
ClCH2COOH
CAS Number:
Molecular Weight:
94.50
Beilstein/REAXYS Number:
605438
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

Quality Level

grade

analytical standard

vapor density

3.26 (vs air)

vapor pressure

0.75 mmHg ( 20 °C)

product line

PESTANAL®

assay

98-100% (HPLC)

form

neat

shelf life

limited shelf life, expiry date on the label

application(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

189 °C (lit.)

mp

60-63 °C (lit.)

Featured Industry

Agriculture
Environmental

format

neat

SMILES string

OC(=O)CCl

InChI

1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

InChI key

FOCAUTSVDIKZOP-UHFFFAOYSA-N

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General description

Chloroacetic acid belongs to the class of haloacetic acid compounds.
Chloroacetic acid is the degradation product of the herbicide, chloroacetanilide.

Application

Chloroacetic acid may be used as an analytical reference standard for the analysis of chloroacetic acid in:
  • Natural waters by ion chromatography-electrospray ionization-tandem mass spectrometry (IC-ESI-MS/MS).
  • Bottled water, swimming pool water, and both source water and drinking water from a drinking water facility by high performance IC-ESI-MS/MS with multiple reaction monitoring (MRM) detection.
  • Tap water by gas chromatography-mass spectrometry (GC-MS).
  • Drinking water by GC coupled to halogen-specific detector equipped with MS operating under the electron ionization mode.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Sigma-Aldrich International GmbH

Signal Word

Danger

hazcat

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

storage_class_code

6.1B - Non-combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK Germany

WGK 3

Flash Point(F)

258.8 °F - closed cup

Flash Point(C)

126 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Pentafluorobenzyl esterification of haloacetic acids in tap water for simple and sensitive analysis by gas chromatography/mass spectrometry with negative chemical ionization.
Zhao C, et al.
Chemosphere, 119(24), 711-718 (2015)
Rapid simultaneous analysis of 17 haloacetic acids and related halogenated water contaminants by high-performance ion chromatography-tandem mass spectrometry.
Xue R, et al.
Analytical and Bioanalytical Chemistry, 408(24), 6613-6622 (2016)
Determination of bromate and chlorinated haloacetic acids in bottled drinking water with chromatographic methods.
Liu Y and Mou S
Chemosphere, 55(9), 1253-1258 (2004)
Analysis of haloacetic acids, bromate, and dalapon in natural waters by ion chromatography-tandem mass spectrometry.
Wu S, et al.
Journal of Chromatography A, 1487(9), 100-107 (2017)
Evaluating gas chromatography with a halogen-specific detector for the determination of disinfection by-products in drinking water.
Andersson A, et al.
Environmental Science and Pollution Research International, 119(24), 1-10 (2018)

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