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1-(6-Bromopyridin-3-yl)-2，2，2-trifluoroethanol - ≥95%, high purity , CAS No.1188477-81-7

COA

Grade & Purity:

≥95%

Cas Number: 1188477-81-7
PubChem CID: 71301986

In stock

Item Number

T734887

Grouped product items
SKU	Size	Availability	Price
T734887-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$373.90
T734887-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$622.90
T734887-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$934.90
T734887-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,245.90
T734887-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,220.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	2-halopyridines
Alternative Parents	Aryl bromides Heteroaromatic compounds Secondary alcohols Fluorohydrins Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Fluorohydrin - Halohydrin - Secondary alcohol - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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	1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethanol
INCHI	InChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)6(13)7(9,10)11/h1-3,6,13H
InChIKey	SCJWPNCLZBUMRD-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1C(C(F)(F)F)O)Br
Isomeric SMILES	C1=CC(=NC=C1C(C(F)(F)F)O)Br
Alternate CAS	1188477-81-7
PubChem CID	71301986

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	256.019 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	254.951 Da
Monoisotopic Mass	254.951 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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