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1-Bromo-3-fluoro-5-piperidinobenzene, HCl - 98%, high purity , CAS No.1242336-61-3

COA

Grade & Purity:

≥98%

Cas Number: 1242336-61-3
Molecular Weight: 294.6
PubChem CID: 53217024

In stock

Item Number

B180516

Grouped product items
SKU	Size	Availability	Price
B180516-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
B180516-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
B180516-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,144.90

Basic Description

Synonyms	1242336-61-3 \| 1-(3-Bromo-5-fluorophenyl)piperidine hydrochloride \| 1-Bromo-3-fluoro-5-piperidinobenzene, HCl \| 1-(3-bromo-5-fluorophenyl)piperidine;hydrochloride \| 1-Bromo-3-fluoro-5-piperidinobenzene hydrochloride \| 1-(3-Bromo-5-fluorophenyl)piperidinehydrochlori
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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-(3-bromo-5-fluorophenyl)piperidine;hydrochloride
INCHI	InChI=1S/C11H13BrFN.ClH/c12-9-6-10(13)8-11(7-9)14-4-2-1-3-5-14;/h6-8H,1-5H2;1H
InChIKey	HLKGOCKBYCONPS-UHFFFAOYSA-N
Smiles	C1CCN(CC1)C2=CC(=CC(=C2)Br)F.Cl
Isomeric SMILES	C1CCN(CC1)C2=CC(=CC(=C2)Br)F.Cl
PubChem CID	53217024
Molecular Weight	294.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	294.590 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	292.998 Da
Monoisotopic Mass	292.998 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	182.000
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	2

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