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2,3-Difluorobenzotrifluoride - 97%, high purity , CAS No.64248-59-5

COA

Grade & Purity:

≥97%

Cas Number: 64248-59-5
Molecular Weight: 182.1
MDL number: MFCD01631429
PubChem CID: 2774078

In stock

Item Number

D120680

Grouped product items
SKU	Size	Availability	Price
D120680-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D120680-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
D120680-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90
D120680-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$453.90

View related series

Trifluoromethylbenzene series (1)

Basic Description

Synonyms	2,3-Difluorobenzotrifluoride \| 64248-59-5 \| 1,2-difluoro-3-(trifluoromethyl)benzene \| 1,2-Difluoro-3-trifluoromethylbenzene \| Benzene, 1,2-difluoro-3-(trifluoromethyl)- \| SCHEMBL448487 \| DTXSID80378875 \| CBOJZWDLNLMBLM-UHFFFAOYSA-N \| MFCD01631429 \| AKOS006229592 \| AM62057 \| CS
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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

IUPAC Name	1,2-difluoro-3-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKey	CBOJZWDLNLMBLM-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)F)C(F)(F)F
Isomeric SMILES	C1=CC(=C(C(=C1)F)F)C(F)(F)F
Molecular Weight	182.1
Reaxy-Rn	1955411
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955411&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
B2513153	Certificate of Analysis	Sep 09, 2024	D120680
B2513149	Certificate of Analysis	Sep 09, 2024	D120680
B2513154	Certificate of Analysis	Sep 09, 2024	D120680
B2524409	Certificate of Analysis	Sep 09, 2024	D120680
B2524411	Certificate of Analysis	Sep 09, 2024	D120680
B2524413	Certificate of Analysis	Sep 09, 2024	D120680
B2524414	Certificate of Analysis	Sep 09, 2024	D120680

Chemical and Physical Properties

Molecular Weight	182.090 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	182.015 Da
Monoisotopic Mass	182.015 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	152.000
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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