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2-Chloro-4-(trifluoromethyl)benzaldehyde - 97%, high purity , CAS No.82096-91-1

COA

Grade & Purity:

≥97%

Cas Number: 82096-91-1
Molecular Weight: 208.57
PubChem CID: 13076144

In stock

Item Number

C195179

Grouped product items
SKU	Size	Availability	Price
C195179-100mg	100mg	3	$9.90
C195179-250mg	250mg	3	$14.90
C195179-1g	1g	3	$39.90
C195179-5g	5g	3	$165.90
C195179-25g	25g	2	$742.90

Discover 2-Chloro-4-(trifluoromethyl)benzaldehyde by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Chloro-4-(trifluoromethyl)benzaldehyde \| 82096-91-1 \| 2-chloro-4-(trifluoromethyl)-benzaldehyde \| 2-CHLORO-4-TRIFLUOROMETHYLBENZALDEHYDE \| MFCD04112538 \| Benzaldehyde, 2-chloro-4-(trifluoromethyl)- \| SCHEMBL952008 \| DTXSID80517429 \| AKOS015957174 \| CS-W005562 \| AS-19889 \| SY
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	Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzaldehyde - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Organohalogen compound - Organofluoride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organochloride - 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	2-chloro-4-(trifluoromethyl)benzaldehyde
INCHI	InChI=1S/C8H4ClF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKey	YMMPHWVSJASKAC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)Cl)C=O
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)Cl)C=O
Molecular Weight	208.57
Reaxy-Rn	11442544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11442544&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
A2211424	Certificate of Analysis	Dec 01, 2021	C195179
A2211426	Certificate of Analysis	Dec 01, 2021	C195179

Chemical and Physical Properties

Molecular Weight	208.560 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	207.99 Da
Monoisotopic Mass	207.99 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192.000
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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