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3,5-Bis(trifluoromethyl)benzyl chloride - 98%, high purity , CAS No.75462-59-8

COA

Grade & Purity:

≥98%

Cas Number: 75462-59-8
Molecular Weight: 262.58
Beilstein Registry Number: 656502
EC Number: 278-216-1
MDL number: MFCD00009906
PubChem CID: 123576
PubChem SID: 504756937

In stock

Item Number

B120166

Grouped product items
SKU	Size	Availability	Price
B120166-1g	1g	3	$9.90
B120166-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$19.90
B120166-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
B120166-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$205.90

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Basic Description

Synonyms	EINECS 278-216-1 \| PS-10640 \| AKOS005255075 \| DTXSID90226393 \| SCHEMBL140938 \| 1-chloromethyl-3,5-bis(trifluoromethyl)benzene \| CK2007 \| B3641 \| 1-(Chloromethyl)-3,5-bis(trifluoromethyl)benzene # \| AM1177 \| AB01004 \| 3,5-bistrifluoromethylbenzyl chloride
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Product Application： 3,5-Bis(trifluoromethyl)benzyl chloride has been used in the preparation of 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene. 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene, in 94% yield by an efficient nucleophilic substitution reaction between 3,5-bis-(trifluoromethyl)benzyl chloride, 4, and sodium azide.

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	Benzyl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzyl halide - Benzyl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - 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	504756937
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756937
IUPAC Name	1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene
INCHI	InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChIKey	OINTXXMBRBLMHH-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl
WGK Germany	3
Molecular Weight	262.58
Beilstein	656502
Reaxy-Rn	656502
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=656502&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
B1318018	Certificate of Analysis	Oct 09, 2024	B120166
C1827039	Certificate of Analysis	Jan 19, 2022	B120166
C1827040	Certificate of Analysis	Jan 19, 2022	B120166

Chemical and Physical Properties

Solubility	Slightly soluble in water
Sensitivity	Moisture Sensitive
Flash Point(°F)	159.8 °F
Flash Point(°C)	71°C
Boil Point(°C)	84°C
Melt Point(°C)	29-33°C
Molecular Weight	262.580 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	261.998 Da
Monoisotopic Mass	261.998 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	211.000
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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