Skip to the beginning of the images gallery

1,3-Bis(hexafluoro-α-hydroxyisopropyl)benzene - 96%, high purity , CAS No.802-93-7

COA

Grade & Purity:

≥96%

Cas Number: 802-93-7
Molecular Weight: 410.16
MDL number: MFCD00042090
PubChem CID: 69933
PubChem SID: 504754465

In stock

Item Number

B409351

Grouped product items
SKU	Size	Availability	Price
B409351-1g	1g	2	$55.90
B409351-5g	5g	2	$189.90
B409351-25g	25g	2	$618.90

Basic Description

Synonyms	802-93-7 \| 1,3-Bis(2-hydroxyhexafluoroisopropyl)benzene \| 1,3-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetrakis(trifluoromethyl)- \| 1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol \| 1,3-Bis(hexafluoro-alpha-hydroxyi
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Tertiary alcohols Fluorohydrins Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Tertiary alcohol - Halohydrin - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	504754465
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754465
IUPAC Name	1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
INCHI	InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
InChIKey	PGUIOHNOYADLMU-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O
Isomeric SMILES	C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O
Molecular Weight	410.16
Reaxy-Rn	2024879
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2024879&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
C2401162	Certificate of Analysis	Mar 11, 2024	B409351
C2401164	Certificate of Analysis	Mar 11, 2024	B409351
C2401166	Certificate of Analysis	Mar 11, 2024	B409351
C2401161	Certificate of Analysis	Mar 11, 2024	B409351
C2401163	Certificate of Analysis	Mar 11, 2024	B409351
C2401165	Certificate of Analysis	Mar 11, 2024	B409351

Chemical and Physical Properties

Refractive Index	1.39
Flash Point(°F)	97°C(lit.)
Flash Point(°C)	97°C(lit.)
Boil Point(°C)	100°C/20.3mmHg
Molecular Weight	410.150 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	2
Exact Mass	410.018 Da
Monoisotopic Mass	410.018 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	428.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration