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

CAS: 1582-09-8 Cat. No.: T114007 Peso molecular: 335.28 Beilstein Registry Number: 1893555 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508813894
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
• WGK Alemania: 2
• RTECS: XU9275000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in most organic solvents.
• Sensibilidad: Air sensitive
• Punto de inflamación (°F): 212℉
• Punto de inflamación (°C): 100°C
• Punto de fusión (°C): 48.5-49°C
• Peso molecular: 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

Referencias

1. Yuyue Zang, Na Hang, Jiale Sui, Senlin Duan, Wanning Zhao, Jing Tao, Songqing Li.  (2023)  Magnetic Persimmon Leaf Composite: Preparation and Application in Magnetic Solid-Phase Extraction of Pesticides in Water Samples.  MOLECULES,  29  (1): (45).  [PMID:38202628] [10.3390/molecules29010045]

2. Xiumin Yang, Junmin Wang, Guifen Chang, Cuihong Sun, Qiuhua Wu, Zhi Wang.  (2023)  Post-synthetic modification of covalent organic framework for efficient adsorption of organochlorine pesticides from cattle's milk.  FOOD CHEMISTRY,      [PMID:38100880] [10.1016/j.foodchem.2023.138182]

3. Bin Li, Zhonggang Wang.  (2023)  Highly sensitive and recognizable detection for trifluralin with alkyl-decorated fluorescent porous polymers.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144123]

4. Xiaohuan Zang, Qingyun Chang, Hongda Li, Xiaoxian Zhao, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2022)  Construction of a ringent multi-shelled hollow MIL-88B as the solid-phase microextraction fiber coating for the extraction of organochlorine pesticides.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122350]

5. Jie Li, Zhuo Wang, Jinqiu Li, Shuaihua Zhang, Yangjuan An, Lin Hao, Xiumin Yang, Chun Wang, Zhi Wang, Qiuhua Wu.  (2022)  Novel N-riched covalent organic framework for solid-phase microextraction of organochlorine pesticides in vegetable and fruit samples.  FOOD CHEMISTRY,      [PMID:35483283] [10.1016/j.foodchem.2022.133007]

6. Zhuojun Yan, Jinni Liu, Congke Miao, Pinjie Su, Guiyue Zheng, Bo Cui, Tongfei Geng, Jiating Fan, Zhiyi Yu, Naishun Bu, Ye Yuan, Lixin Xia.  (2021)  Pyrene-Based Fluorescent Porous Organic Polymers for Recognition and Detection of Pesticides.  MOLECULES,  27  (1): (126).  [PMID:35011357] [10.3390/molecules27010126]

7. Yuan Huamei, Ruan Guihua, Chen Zhengyi, Zhang Wenjuan, Jiang Xiangqiong, Du Fuyou.  (2020)  A porous carbon absorbent based on high internal phase emulsion for separation and enrichment of trifluralin from soil.  MICROCHIMICA ACTA,  187  (2): (1-8).  [PMID:31953636] [10.1007/s00604-019-4086-1]

8. Fuyou Du, Lingshun Sun, Qiulian Zen, Wei Tan, Zhenfang Cheng, Guihua Ruan, Jianping Li.  (2019)  A highly sensitive and selective “on-off-on” fluorescent sensor based on nitrogen doped graphene quantum dots for the detection of Hg2+ and paraquat.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.02.109]