Fluomethuron - analytical standard , CAS No.2164-17-2

CAS: 2164-17-2 Cat. No.: F114587 Molecular Weight: 232.2 Beilstein Registry Number: 2217354 EC Number: 218-500-4
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff | 1,1-Dimethyl-3-[3-(trifluoromethyl)phenyl]urea | 3-(2-CARBOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACID | EN300-7394482 | 1,1-DIMETHYL-3-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)UREA | D3773 | HSDB 1
Storage
Room temperature
Shipped In
Normal
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Size
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Qty
250mg
F114587-250mg
3

$210.90

$273.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-(5-Trifluormethylphenyl)-1, 1-dimethylharnstoff | 1, 1-Dimethyl-3-[3-(trifluoromethyl)phenyl]urea | 3-(2-CARBOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACID | EN300-7394482 | 1, 1-DIMETHYL-3-(.ALPHA., .ALPHA., .ALPHA.-TRIFLUORO-M-TOLYL)UREA | D3773 | HSDB 1
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
IUPAC Name1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
InChIKeyRZILCCPWPBTYDO-UHFFFAOYSA-N
INCHI1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
Isomeric SMILES CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
RTECS YT1575000
Molecular Weight 232.2
Beilstein 2217354
Reaxy-Rn 2217354
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217354&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Trifluoromethylbenzenes  Ureas  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents N-phenylurea - Trifluoromethylbenzene - Carbonic acid derivative - Urea - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Phenylurea herbicides
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Echinochloa crus-galli (3685 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zea mays (820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Glycine max (342 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abutilon theophrasti (831 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gossypium hirsutum (233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Xanthium strumarium (250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
psbA Photosystem Q(B) protein (72 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ipomoea lacunosa (128 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vigna radiata var. radiata (22 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
H1912121Certificate of AnalysisMar 10, 2023 F114587
Chemical and Physical Properties
Melt Point(°C)163-164.5℃
Molecular Weight232.200 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass232.082 Da
Monoisotopic Mass232.082 Da
Topological Polar Surface Area32.299 Ų
Heavy Atom Count16
Formal Charge0
Complexity253.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Liu Xiao-Pan, Sun Wen-Qian, Zhao Meng-Ge, Zhang Xing-Jie, Liu Li-Hong, Chen Chang-Po.  (2022)  Fluoro-functionalized ionic covalent organic frameworks (F-iCOFs) for highly selective enrichment and sensitive determination of perfluorinated sulfonates by MALDI-MS.  MICROCHIMICA ACTA,  189  (12): (1-10).  [PMID:36342547] [10.1007/s00604-022-05542-9]
2. Ting Wang, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2025)  Fabrication of microporous organic network incorporated monolithic column for improved high performance liquid chromatographic separation of small molecules.  ANALYTICA CHIMICA ACTA,      [PMID:40015778] [10.1016/j.aca.2025.343736]
Solution Calculators
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