Butenachlor

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Basic information

CAS: 87310-56-3
Standard SMILES: C/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC
InChIKey: HZDIJTXDRLNTIS-DAXSKMNVSA-N
Molecular formula: C17H24ClNO2
Average molar mass: 309.8 g/mol
Monoisotopic mass: 309.1495567

Names & identifiers

Preferred name: Butenachlor
IUPAC: N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
English name: N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
Molecular formula: C17H24ClNO2
Molecular weight: 309.83

Names & synonyms

Butenachlor87310-56-3KH-218UNII-W0EV45W87PW0EV45W87PAcetamide, N-(2,6-diethylphenyl)-N-((2-butenyloxy)methyl)-2-chloro-, (Z)-BUTENACHLOR [ISO](Z)-N-(2,6-Diethylphenyl)-N-((2-butenyloxy)methyl)-2-chloroacetamide(Z)-N-But-2-enyloxymethyl-2-chloro-2',6'-diethylacetanilide (IUPAC)DTXSID7058206KH 218(z)-n-but-2-enyloxymethyl-2-chloro-2',6'-diethylacetanilide

Show more names

Acetamide, N-[[(2Z)-2-buten-1-yloxy]methyl]-2-chloro-N-(2,6-diethylphenyl)-

ACETAMIDE, N-(((2Z)-2-BUTEN-1-YLOXY)METHYL)-2-CHLORO-N-(2,6-DIETHYLPHENYL)-ACETAMIDE, N-(((2Z)-2-BUTENYLOXY)METHYL)-2-CHLORO-N-(2,6-DIETHYLPHENYL)-ACETAMIDE, N-((2-BUTENYLOXY)METHYL)-2-CHLORO-N-(2,6-DIETHYLPHENYL)-, (Z)-N-(((2Z)-2-BUTENYLOXY)METHYL)-2-CHLORO-N-(2,6-DIETHYLPHENYL)ACETAMIDERefChem:122135DTXCID0031974N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamideSCHEMBL135892

Database identifiers

CAS: 87310-56-3
PubChem CID: 6448437
DTXSID: DTXSID7058206
UNII: W0EV45W87P

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 321

Experimental & physicochemical properties

LogP3.51

Physicochemical properties

Boiling point: 442.3 · 442.3±45.0 °C(Predicted)
Density: 1.09 · 1.090±0.06 g/cm3(Predicted)
pka: 1.18 · 1.18±0.50(Predicted)
Henry's Law Constant: 1 · 1.0×102 mol/(m3Pa) at 25℃, MacBean (2012)
EWG's Food Scores: 1 · 1
FDA UNII: 0 EV45W87P · W0EV45W87P

Chemistry & industry

Applications · 2 items

DescriptionButenachlor is a soil-applied herbicide. It has a moderate aqueous solubility and is not highly volatile. It is not expected to be persistent in soil systems. It is moderately toxic to fish but less so to birds. It has a low mammalian oral toxicity.

UsesButenachlor is a herbicide.

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Compound notes

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