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1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-ol - 98%, high purity , CAS No.220675-94-5

COA

Grade & Purity:

≥98%

Cas Number: 220675-94-5
Molecular Weight: 204.19
PubChem CID: 16227136
PubChem SID: 488199353

In stock

Item Number

D489499

Grouped product items
SKU	Size	Availability	Price
D489499-50mg	50mg	5	$344.90
D489499-250mg	250mg	5	$1,236.90
D489499-1g	1g	4	$3,434.90

Basic Description

Synonyms	220675-94-5 \| 1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanol \| 1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-ol \| MFCD08444245 \| 3,5-Dimethyl-alpha-(trifluoromethyl)benzyl Alcohol \| SCHEMBL14321440 \| IJNIHVQJKHNYKH-UHFFFAOYSA-N \| DTXSID801242885 \| AKOS000118033 \| SY172292 \| C
Specifications & Purity	≥98%

Names and Identifiers

Pubchem Sid	488199353
IUPAC Name	1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanol
INCHI	InChI=1S/C10H11F3O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3
InChIKey	DQTXEAKXIGCGEJ-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)C(C(F)(F)F)O)C
Isomeric SMILES	CC1=CC(=CC(=C1)C(C(F)(F)F)O)C
Molecular Weight	204.19
Reaxy-Rn	3606175
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3606175&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
J2219559	Certificate of Analysis	Aug 03, 2022	D489499
J2219545	Certificate of Analysis	Aug 03, 2022	D489499
B2520111	Certificate of Analysis	Aug 03, 2022	D489499
J2219260	Certificate of Analysis	Aug 03, 2022	D489499

Chemical and Physical Properties

Molecular Weight	204.190 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	204.076 Da
Monoisotopic Mass	204.076 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	180.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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