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[4-(trifluoromethyl)bicyclo[2.2.2]octan-1-yl]methanol - 97%, high purity , CAS No.94994-14-6

COA

Grade & Purity:

≥97%

Cas Number: 94994-14-6
Molecular Weight: 208.22
EC Number: 858-394-2
MDL number: MFCD31566973
PubChem CID: 86114324

In stock

Item Number

O635295

Grouped product items
SKU	Size	Availability	Price
O635295-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$301.90
O635295-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$482.90
O635295-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$803.90
O635295-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,448.90

Basic Description

Synonyms	[4-(trifluoromethyl)bicyclo[2.2.2]octan-1-yl]methanol \| 94994-14-6 \| [4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]methanol \| (4-(TRIFLUOROMETHYL)BICYCLO[2.2.2]OCTAN-1-YL)METHANOL \| SCHEMBL24497364 \| C10H15F3O \| MFCD31566973 \| AT20216 \| EN300-211274
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Primary alcohols
Alternative Parents	Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
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	[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]methanol
INCHI	InChI=1S/C10H15F3O/c11-10(12,13)9-4-1-8(7-14,2-5-9)3-6-9/h14H,1-7H2
InChIKey	RSXLNNJTFYAAAV-UHFFFAOYSA-N
Smiles	C1CC2(CCC1(CC2)CO)C(F)(F)F
Isomeric SMILES	C1CC2(CCC1(CC2)CO)C(F)(F)F
Alternate CAS	94994-14-6
PubChem CID	86114324
Molecular Weight	208.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.220 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	208.107 Da
Monoisotopic Mass	208.107 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209.000
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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