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Butachlor

CAT: 0013-GTR19257533-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19257533-02Size:1 ml x 10 mM (in DMSO)
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Description
Butachlor is a pre-emergent herbicide used in agricultural research to control grass and broadleaf weeds. Its properties of moderate solubility and persistence make it a model compound for environmental fate, toxicology, and ecotoxicology studies, including investigations into its metabolic pathways and effects in both laboratory and field settings.
CAS Number
23184-66-9
Product Name Alternative
SHA 112301
Purity
99.97% (May vary between batches)
Solubility
Acetone:≥ 80 mg/mL;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (10.58 mM) ; DMSO:80 mg/mL (256.53 mM)
Smiles
O=C (N (C=1C (=CC=CC1CC) CC) COCCCC) CCl
Molecular Formula
C17H26ClNO2
Molecular Weight
311.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Butachlor

Butachlor is an aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a tertiary carboxamide, an organochlorine compound and an aromatic amide. It is functionally related to a N-phenylacetamide.

CAS Number23184-66-9
PubChem CID31677
IUPAC NameN-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
Molecular FormulaC17H26ClNO2
Molecular Weight311.8
XLogP4.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity287
SMILES
CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
InChI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
InChIKey
HKPHPIREJKHECO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butachlor
CAS: 23184-66-9
CID: 31677
Formula: C17H26ClNO2
MW: 311.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.8
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass311.1652068
Monoisotopic Mass311.1652068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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