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1,1,1,3,3,3-Hexafluoro-2-propanol-OD - 99%，98atom%D, high purity , CAS No.38701-73-4

COA

Grade & Purity:

≥98 atom% D,≥99%

Cas Number: 38701-73-4
Molecular Weight: 169.04
MDL number: MFCD00191252
PubChem CID: 16212653

In stock

Item Number

H472005

Grouped product items
SKU	Size	Availability	Price	Qty
H472005-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
H472005-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$240.90

Basic Description

Synonyms	AKOS015913077 \| 1,1,1,3,3,3-Hexafluoro-2-propan(ol-d) \| BYEAHWXPCBROCE-MMIHMFRQSA-N \| SCHEMBL1686130 \| 2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane \| DTXSID20583668 \| 1,1,1,3,3,3-Hexafluoropropan-2-(~2~H)ol \| 2-Propanol-d, 1,1,1,3,3,3-hexafluoro- \| 1,1,1,3
Specifications & Purity	≥98 atom% D,≥99%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Halohydrins
    - Subclass Fluorohydrins

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Halohydrins
Subclass	Fluorohydrins
Intermediate Tree Nodes	Not available
Direct Parent	Fluorohydrins
Alternative Parents	Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl 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-deuteriooxy-1,1,1,3,3,3-hexafluoropropane
INCHI	InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i10D
InChIKey	BYEAHWXPCBROCE-MMIHMFRQSA-N
Smiles	C(C(F)(F)F)(C(F)(F)F)O
Isomeric SMILES	[2H]OC(C(F)(F)F)C(F)(F)F
UN Number	3265
Molecular Weight	169.04
Reaxy-Rn	1858576
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858576&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.3 (lit.)
Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Boil Point(°C)	59℃ (lit.)
Melt Point(°C)	−4℃ (lit.)
Molecular Weight	169.040 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	169.007 Da
Monoisotopic Mass	169.007 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.100
Isotope Atom Count	1
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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