3',5'-BIS(TRIFLUOROMETHYL)ACETANILIDE , CAS No.16143-84-3

CAS: 16143-84-3 Cat. No.: B167690 Molecular Weight: 271.164 EC Number: 664-946-1
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Synonyms
DTXSID90352343 | AB00102507-01 | 3',5'-Bis(trifluoromethyl)acetanilide | 3,5-Bis(Trifluoromethyl)Acetanilide | BIM-0045353.P001 | AKOS003587357 | Cl-4459 | n-[3,5-bis(trifluoromethyl)phenyl]acetamide | CBMicro_045192 | GNF-Pf-1581 | Maybridge1_000017 | Ac
Storage
Room temperature
Shipped In
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1g
B167690-1g
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$22.90
5g
B167690-5g
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$80.90
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Why this grade

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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID90352343 | AB00102507-01 | 3', 5'-Bis(trifluoromethyl)acetanilide | 3, 5-Bis(Trifluoromethyl)Acetanilide | BIM-0045353.P001 | AKOS003587357 | Cl-4459 | n-[3, 5-bis(trifluoromethyl)phenyl]acetamide | CBMicro_045192 | GNF-Pf-1581 | Maybridge1_000017 | Ac
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesCC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]acetamide
InChIKeyXMKZELXFBZUGEY-UHFFFAOYSA-N
INCHI1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)
Isomeric SMILES CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Molecular Weight 271.164
Reaxy-Rn 2221214
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221214&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
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAcetanilides
Alternative Parents Trifluoromethylbenzenes  N-acetylarylamines  Acetamides  Secondary carboxylic acid amides  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Acetanilide - Trifluoromethylbenzene - N-acetylarylamine - N-arylamide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 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:
Chemical and Physical Properties
Molecular Weight271.160 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass271.043 Da
Monoisotopic Mass271.043 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count18
Formal Charge0
Complexity288.000
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
Solution Calculators
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