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1-(3,4-Dichloro-5-(trifluoromethyl)phenyl)ethanone - ≥95% , CAS No.1261645-17-3

1-(3,4-Dichloro-5-(trifluoromethyl)phenyl)ethanone - ≥95% , CAS No.1261645-17-3

CAS: 1261645-17-3 Cat. No.: D1063098 Molecular Weight: 257.04 PubChem CID: 70700251

COA

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1-(3,4-Dichloro-5-(trifluoromethyl)phenyl)ethanone - ≥95% CAS No(1261645-17-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

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

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

Canonical Smiles	CC(=O)C1=CC(=C(C(=C1)Cl)Cl)C(F)(F)F
IUPAC Name	1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
InChIKey	LNRBEXGNSCXRGS-UHFFFAOYSA-N
INCHI	1S/C9H5Cl2F3O/c1-4(15)5-2-6(9(12,13)14)8(11)7(10)3-5/h2-3H,1H3
Isomeric SMILES	CC(=O)C1=CC(=C(C(=C1)Cl)Cl)C(F)(F)F
PubChem CID	70700251
Molecular Weight	257.04

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Trifluoromethylbenzenes Acetophenones Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Trifluoromethylbenzene - Acetophenone - Benzoyl - Aryl alkyl ketone - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organohalogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organochloride - Organofluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	257.029 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	255.967 Da
Monoisotopic Mass	255.967 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254.000
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

Solution Calculators

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Reviews

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