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compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group.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 Number	1861-40-1
PubChem CID	2319
IUPAC Name	N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Molecular Formula	C13H16F3N3O4
Molecular Weight	335.28
XLogP	5.3
Topological Polar Surface Area	94.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	398

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

CAS: 1861-40-1

CID: 2319

Formula: C13H16F3N3O4

MW: 335.28

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	335.28
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	335.10929049
Monoisotopic Mass	335.10929049
Topological Polar Surface Area	94.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-B120100-500MG	Benfluralin

Benfluralin

Chemical Information

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