Trifluralin - analytical standard, ≥98% , CAS No.1582-09-8

CAS: 1582-09-8 Cat. No.: T114007 분자식: C₁₃H₁₆F₃N₃O₄ 분자량: 335.28 Beilstein Registry Number: 1893555 EC 번호: 216-428-8

GRADE & PURITY Analytical standard, ≥98%

Synonyms

2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine | 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Trifluralin is a dinitroaniline herbicide used mostly as antiparasitic agent. It is used in controlling weeds and is characterized as microtubule-depolymerizing chemical.

Application：

Trifluralin may have been used as standard in mass spectrometry employing negative chemical
ionization (GC-MS-NCI) technique for qualitative and quantitative analysis of trifluralin from soil extract samples. 

Specifications

동의어

2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine | 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

사양 및 순도

analytical standard, ≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

분석 표준물질

순수함

≥98%

이름과 식별자

Pubchem Sid

508813894

정식 스마일

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

IUPAC Name

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

InChIKey

ZSDSQXJSNMTJDA-UHFFFAOYSA-N

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

이성체 SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

WGK 독일

2

RTECS

XU9275000

UN 번호

3077

포장 그룹

III

분자량

335.28

Beilstein

1893555

Reaxy-Rn

1893555

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1893555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitroanilines
• Alternative Parents: Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
• External Descriptors: Dinitroaniline herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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THP-1 (11052 Activities)

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Lymphoblastoid cell (5959 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Leishmania infantum (5912 Activities)

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Cryptosporidium parvum (1150 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Toxoplasma gondii (4585 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Allium cepa (293 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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psbA Photosystem Q(B) protein (72 Activities)

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psaC Photosystem I iron-sulfur center (3 Activities)

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Trianthema (24 Activities)

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Urochloa platyphylla (12 Activities)

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Boerhavia erecta (24 Activities)

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Portulaca oleracea (78 Activities)

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Amaranthus dubius (24 Activities)

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Malva sylvestris (32 Activities)

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Digitaria (171 Activities)

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Corynandra viscosa (24 Activities)

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Cyperus (12 Activities)

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Sesamum indicum (40 Activities)

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Poaceae (20 Activities)

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Eleusine indica (140 Activities)

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Cyperus rotundus (46 Activities)

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Amaranthus tuberculatus (84 Activities)

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Chenopodiastrum murale (32 Activities)

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Clonostachys rosea (54 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, soluble in most organic solvents.
• 감도: Air sensitive
• 발화점(°F): 212℉
• 발화점(°C): 100°C
• 녹는점(°C): 48.5-49°C
• 분자량: 335.280 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 335.109 Da
• Monoisotopic Mass: 335.109 Da
• Topological Polar Surface Area: 94.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 392.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1