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2,3-Dichlorobenzotrifluoride - 98%, high purity , CAS No.54773-19-2

COA

Grade & Purity:

≥98%

Cas Number: 54773-19-2
Molecular Weight: 215
PubChem CID: 94570
PubChem SID: 488186848

In stock

Item Number

D185144

Grouped product items
SKU	Size	Availability	Price
D185144-250mg	250mg	5	$9.90
D185144-1g	1g	5	$12.90
D185144-5g	5g	3	$15.90
D185144-25g	25g	3	$18.90
D185144-100g	100g	1	$56.90
D185144-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$189.90

Basic Description

Synonyms	2,3-DICHLOROBENZOTRIFLUORIDE \| 54773-19-2 \| 1,2-Dichloro-3-(trifluoromethyl)benzene \| Benzene, 1,2-dichloro-3-(trifluoromethyl)- \| MFCD00069115 \| 17977SU48T \| EINECS 259-336-3 \| UNII-17977SU48T \| SCHEMBL312929 \| DTXSID3073551 \| AKOS015889835 \| CS-W002312 \| AS-17300 \| SY016126 \| FT-0
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	Dichlorobenzenes Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - 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

Pubchem Sid	488186848
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186848
IUPAC Name	1,2-dichloro-3-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H3Cl2F3/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKey	BJYHBJUWZMHGGQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)Cl)C(F)(F)F
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)Cl)C(F)(F)F
Molecular Weight	215
Reaxy-Rn	2261065
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2261065&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
K2122082	Certificate of Analysis	Sep 11, 2024	D185144
K2122083	Certificate of Analysis	Sep 11, 2024	D185144
K2122084	Certificate of Analysis	Sep 11, 2024	D185144
K2122085	Certificate of Analysis	Sep 11, 2024	D185144
K2122090	Certificate of Analysis	Sep 11, 2024	D185144
K2122091	Certificate of Analysis	Sep 11, 2024	D185144
G2304521	Certificate of Analysis	Oct 26, 2021	D185144

Chemical and Physical Properties

Molecular Weight	215.000 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	213.956 Da
Monoisotopic Mass	213.956 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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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