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2,4,5-Trifluoro-3-methoxybenzoyl chloride - 97%, high purity , CAS No.112811-66-2

COA

Grade & Purity:

≥97%

Cas Number: 112811-66-2
Molecular Weight: 224.56
MDL number: MFCD02682012
PubChem CID: 2775281
PubChem SID: 488193635

In stock

Item Number

T165979

Grouped product items
SKU	Size	Availability	Price
T165979-1g	1g	5	$9.90
T165979-5g	5g	1	$13.90
T165979-25g	25g	1	$33.90

Basic Description

Synonyms	1187318-54-2 \| 2,4,5-Trifluoro-3-methoxybenzoyl chloride \| 2,4,5-trifluoro-3-methoxy-benzoyl chloride \| 2,4,5-Trifluoro-3-methoxybenzoyl chloride, 97% \| A802659 \| SCHEMBL605762 \| BCP29608 \| PS-10683 \| 2,4,5-trifluoro-3-methoxybenzoylchloride \| A802658 \| M
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 4-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	4-halobenzoic acids and derivatives
Alternative Parents	3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Acyl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ether - Acyl halide - Acyl chloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
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

Names and Identifiers

Pubchem Sid	488193635
IUPAC Name	2,4,5-trifluoro-3-methoxybenzoyl chloride
INCHI	InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
InChIKey	JVQSZTJTWSUJCR-UHFFFAOYSA-N
Smiles	COC1=C(C(=CC(=C1F)F)C(=O)Cl)F
Isomeric SMILES	COC1=C(C(=CC(=C1F)F)C(=O)Cl)F
WGK Germany	3
PubChem CID	2775281
UN Number	1760
Packing Group	II
Molecular Weight	224.56

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

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Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
C2306126	Certificate of Analysis	Dec 20, 2024	T165979
C2306125	Certificate of Analysis	Dec 20, 2024	T165979
C2306123	Certificate of Analysis	Dec 20, 2024	T165979
C2306132	Certificate of Analysis	Dec 10, 2024	T165979
C2306147	Certificate of Analysis	Dec 10, 2024	T165979
C2306127	Certificate of Analysis	Dec 10, 2024	T165979
D2123107	Certificate of Analysis	Feb 09, 2023	T165979
D2123108	Certificate of Analysis	Feb 09, 2023	T165979
E2012072	Certificate of Analysis	Mar 08, 2022	T165979

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	224.560 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	223.985 Da
Monoisotopic Mass	223.985 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227.000
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

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