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1-(3-Bromophenyl)-2,2,2-trifluoroethanol - 98%, high purity , CAS No.446-63-9

COA

Grade & Purity:

≥95%

Cas Number: 446-63-9
Molecular Weight: 255.03
PubChem CID: 23423062
PubChem SID: 504769407

In stock

Item Number

B489590

Grouped product items
SKU	Size	Availability	Price
B489590-50mg	50mg	3	$100.90
B489590-250mg	250mg	3	$344.90
B489590-1g	1g	2	$996.90
B489590-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,434.90

Basic Description

Synonyms	1-(3-bromophenyl)-2,2,2-trifluoroethanol \| 446-63-9 \| 1-(3-bromophenyl)-2,2,2-trifluoroethan-1-ol \| MFCD16067907 \| SCHEMBL17942315 \| DTXSID60633873 \| YJAXYKDDEAMXAW-UHFFFAOYSA-N \| AKOS010909337 \| AS-41484 \| SY043073 \| CS-0379675 \| EN300-98894 \| Benzenemethanol, 3-bromo-.alpha.-(
Specifications & Purity	≥95%
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 Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Secondary alcohols Fluorohydrins Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - Fluorohydrin - Halohydrin - Secondary alcohol - Organobromide - Organohalogen compound - Alkyl fluoride - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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	504769407
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769407
IUPAC Name	1-(3-bromophenyl)-2,2,2-trifluoroethanol
INCHI	InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChIKey	YJAXYKDDEAMXAW-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Br)C(C(F)(F)F)O
Isomeric SMILES	C1=CC(=CC(=C1)Br)C(C(F)(F)F)O
Molecular Weight	255.03
Reaxy-Rn	2262330
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2262330&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2519142	Certificate of Analysis	Dec 06, 2022	B489590
A2309790	Certificate of Analysis	Dec 06, 2022	B489590
A2309591	Certificate of Analysis	Dec 06, 2022	B489590
A2309596	Certificate of Analysis	Dec 06, 2022	B489590
A2309592	Certificate of Analysis	Dec 06, 2022	B489590

Chemical and Physical Properties

Molecular Weight	255.030 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	253.955 Da
Monoisotopic Mass	253.955 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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