2-Chloroacetamide is a preservative and herbicide in dryland and paddy fields. 2-Chloroacetamide is a fungicide used in agriculture, glues, paints and coatings. 2-Chloroacetamide inhibits very long chain fatty acid elongase.

Physicochemical Properties

Molecular Formula	C2H4CLNO
Molecular Weight	93.51
Exact Mass	92.998
CAS #	79-07-2
Related CAS #	2-Chloroacetamide-d4;122775-20-6
PubChem CID	6580
Appearance	Crystals from water Colorless to pale yellow crystals
Density	1.3±0.1 g/cm3
Boiling Point	256.0±13.0 °C at 760 mmHg
Melting Point	116-118 °C(lit.)
Flash Point	108.6±19.8 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.448
LogP	-0.85
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Complexity	44.9
Defined Atom Stereocenter Count	0
SMILES	O=C(CCl)N
InChi Key	VXIVSQZSERGHQP-UHFFFAOYSA-N
InChi Code	InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
Chemical Name	2-chloroacetamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ADME/Pharmacokinetics	Absorption, Distribution and Excretion The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
Toxicity/Toxicokinetics	Non-Human Toxicity Values LD50 Mouse oral 155 mg/kg LD50 Mouse ip 100 mg/kg LD50 Rabbit oral 122 mg/kg LD50 Dog oral 31 mg/kg For more Non-Human Toxicity Values (Complete) data for CHLOROACETAMIDE (9 total), please visit the HSDB record page.
References	[1]. Hidenori Okamoto, et al. Synthesis and Herbicidal Activity of N(1-Arylethenyl)-2-chloroacetamides. Agricultural and Biological Chemistry, Volume 55, 1991-Issue 11. [2]. A Fonia, et al. Active Sensitization to Chloracetamide. Contact Dermatitis. 2009 Jan;60(1):58-9. [3]. Christian Eckermann, et al. Covalent Binding of Chloroacetamide Herbicides to the Active Site Cysteine of Plant Type III Polyketide Synthases. Phytochemistry. 2003 Nov;64(6):1045-54.
Additional Infomation	Chloroacetamide is a chlorinated sulfhydryl alkylating reagent that forms covalent bonds with the thiol group of cysteines so the protein or peptide no longer forms disulfide bonds.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (1069.40 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	10.6940 mL	53.4702 mL	106.9404 mL
	5 mM	2.1388 mL	10.6940 mL	21.3881 mL
	10 mM	1.0694 mL	5.3470 mL	10.6940 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.