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2-(4-(tert-butyl)phenyl)-2，2-difluoroacetic acid - ≥98%, high purity , CAS No.1027514-14-2

COA

Grade & Purity:

≥98%

Cas Number: 1027514-14-2
Molecular Weight: 228.239
PubChem CID: 39058321

In stock

Item Number

P769030

Grouped product items
SKU	Size	Availability	Price	Qty
P769030-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$268.90
P769030-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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-(4-tert-butylphenyl)-2,2-difluoroacetic acid
INCHI	InChI=1S/C12H14F2O2/c1-11(2,3)8-4-6-9(7-5-8)12(13,14)10(15)16/h4-7H,1-3H3,(H,15,16)
InChIKey	SQCCTMODTJDWCG-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)C(C(=O)O)(F)F
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)C(C(=O)O)(F)F
PubChem CID	39058321
Molecular Weight	228.239

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	101-104°
Molecular Weight	228.230 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	228.096 Da
Monoisotopic Mass	228.096 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	261.000
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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