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Benfluralin

CAT: 0804-HY-B2045-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-B2045-02Size:10 mM - 1 mL
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Description
Benfluralin is a kind of herbicide and an agrochemical which can be used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops.
CAS Number
1861-40-1
UNSPSC
12352005
Hazard Statement
H400, H410
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Benfluralin.html
Purity
99.68
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
FC(C1=CC([N+]([O-])=O)=C(N(CCCC)CC)C([N+]([O-])=O)=C1)(F)F
Molecular Formula
C13H16F3N3O4
Molecular Weight
335.28
Precautions
H400, H410
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benfluralin

Benfluralin is a tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops. It has a role as a herbicide and an agrochemical. It is a C-nitro compound, an organofluorine compound, a substituted aniline and a tertiary amino compound.

CAS Number1861-40-1
PubChem CID2319
IUPAC NameN-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28
XLogP5.3
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
InChIKey
SMDHCQAYESWHAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benfluralin
CAS: 1861-40-1
CID: 2319
Formula: C13H16F3N3O4
MW: 335.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.28
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass335.10929049
Monoisotopic Mass335.10929049
Topological Polar Surface Area94.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
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

Alternative Products

CatalogName
TRC-B120100-500MGBenfluralin

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