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3,3,3-trifluoro-2,2-dimethyl-propan-1-ol - 97%, high purity , CAS No.1895296-01-1

COA

Grade & Purity:

≥97%

Cas Number: 1895296-01-1
Molecular Weight: 142.12
EC Number: 821-236-8
MDL number: MFCD29035251
PubChem CID: 59951355

In stock

Item Number

T630960

Grouped product items
SKU	Size	Availability	Price
T630960-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T630960-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,163.90
T630960-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,018.90

Basic Description

Synonyms	BXAWEKVFAKGBSU-UHFFFAOYSA-N \| I10932 \| QRHWGLHBRHBPNR-UHFFFAOYSA-N \| SY270197 \| SCHEMBL1972853 \| CS-0162682 \| 3,3,3-Trifluoro-2,2-dimethyl-1-propanol \| EN300-247368 \| A1-04303 \| MFCD29035251 \| 3,3,3-Trifluoro-2,2-dimethyl-propan-1-ol \| 3,3,3-trifluoro-2,2
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 acyclic compounds
Substituents	Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic 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	3,3,3-trifluoro-2,2-dimethylpropan-1-ol
INCHI	InChI=1S/C5H9F3O/c1-4(2,3-9)5(6,7)8/h9H,3H2,1-2H3
InChIKey	QRHWGLHBRHBPNR-UHFFFAOYSA-N
Smiles	CC(C)(CO)C(F)(F)F
Isomeric SMILES	CC(C)(CO)C(F)(F)F
Alternate CAS	1895296-01-1
PubChem CID	59951355
Molecular Weight	142.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.120 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	142.061 Da
Monoisotopic Mass	142.061 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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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