CAS 1582-09-8|tristar|2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|Trifluralin|Agreflan|Tristar|Elancolan|Biobarrier|2,6-Dinitro-4-(trifluo...

General Information

Structure

Molecular Formula

C₁₃H₁₆F₃N₃O₄

Molecular Mass

335.2790496

Exact Mass

335.10929067

Charge

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

InChIKey

ZSDSQXJSNMTJDA-UHFFFAOYSA-N

Canonic Smiles

CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC

Isomeric Smiles

N(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])(CCC)CCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.597767

LogD (pH = 7.4)

4.5977674

Log P

4.5977674

Molar Refractivity

79.6549

Polarizability

27.656332

Polar Surface Area

94.88

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tristar 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

IUPAC name

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Synonyms

2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)anilineTrifluralinAgreflan2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylanilineBrassixElancolanTrifloranTristarTrilanNitranZeltoxoneTrigardAgriflanBiobarrierL 36352Triflurom2,6-二硝基-N,N-二丙基-4-三氟甲基苯胺氟乐灵2,6-Dinitro-N,N-dipropyl-4-trifluoromethylanilineTriflurotoxOlitrefTreflan氟乐灵溶液TefralinTrifsan2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamineTriflurexTrifluralinTrifluralin solutionα,α,α-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidineBayonet2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)anilineAgriflan 24Trefanocide

Names and Identifiers

Registration numbers

MDL Number

PubChem CID

CAS Number

CHEMBL

Unique Ingredient Identifier

Chemspider ID

KEGG ID

Wikipedia Title

PubChem SID

16208089124869513248992162486768624869268

Beilstein Number

1893555

EC Number

200-835-2216-428-8

Registration numbers

Properties

Safety Information

500 mg/kg (rat, oral)

P273-P280-P501

P210-P280-P305+P351+P338

Pharmacology Properties

Reported to bind specifically to Leishmania tubulin

Selective inhibitor of proliferation of Leishmania mexicana amazonensis in-vitro

Reported to inhibit selectively differentiation of Leishmania mexicana amazonensis in-vitro

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

Trifluralin

Sigma Aldrich

32061

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

45913

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

TRC

T793550

Pre-emergence herbicide used for grass control in crops.

Molecule Details

References

PubChem Literature

From Data Sources

• Robens, J.F., et al.: Vet. Hum. Toxicol., 22, 328 (1971)

• Goldenthal, et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

• U.S. Pat., 1962, 3 257 190; CA, 65, 13606f

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DUV600

• Droppa, M. et al., Z. Naturforsch., C, 1981, 36, 853, (activity)

• Dolan, J.W. et al., Anal. Chem., 1977, 49, 326, (hplc)

• Erkog, F.U. et al., J. Agric. Food Chem., 1985, 33, 1061, (metab)

• Pesticide Manual, 9th edn., 1991, No. 12120

• Dangerous Prop. Ind. Mater. Rep., 1990, 10, 74, (rev, tox)

• Agrochemicals Handbook, 3rd edn., Royal Society of Chemistry, 1992, A412

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

tristar 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

IUPAC name

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Synonyms

Registration numbers

MDL Number

PubChem CID

CAS Number

CHEMBL

Unique Ingredient Identifier

Chemspider ID

KEGG ID

Wikipedia Title

PubChem SID

16208089124869513248992162486768624869268

Beilstein Number

EC Number

Molecule Details

32061

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

45913

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

TRC

T793550

Pre-emergence herbicide used for grass control in crops.

References

PubChem Literature

From Data Sources

• Robens, J.F., et al.: Vet. Hum. Toxicol., 22, 328 (1971)

• Goldenthal, et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

• U.S. Pat., 1962, 3 257 190; CA, 65, 13606f

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DUV600

• Droppa, M. et al., Z. Naturforsch., C, 1981, 36, 853, (activity)

• Dolan, J.W. et al., Anal. Chem., 1977, 49, 326, (hplc)

• Erkog, F.U. et al., J. Agric. Food Chem., 1985, 33, 1061, (metab)

• Pesticide Manual, 9th edn., 1991, No. 12120

• Dangerous Prop. Ind. Mater. Rep., 1990, 10, 74, (rev, tox)

• Agrochemicals Handbook, 3rd edn., Royal Society of Chemistry, 1992, A412

Bioactivity

PubChem BioAssay

Properties

Safety Information

500 mg/kg (rat, oral)

P273-P280-P501

P210-P280-P305+P351+P338

Pharmacology Properties

Reported to bind specifically to Leishmania tubulin

Selective inhibitor of proliferation of Leishmania mexicana amazonensis in-vitro

Reported to inhibit selectively differentiation of Leishmania mexicana amazonensis in-vitro

Molecule

ID:94236