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8-Chloro-11-(piperidin-4-ylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine - 98%, high purity , CAS No.117811-20-8

COA

Grade & Purity:

≥98%

Cas Number: 117811-20-8
Molecular Weight: 308.8
PubChem CID: 15780509
PubChem SID: 504767955

In stock

Item Number

C343664

Grouped product items
SKU	Size	Availability	Price
C343664-2.5mg	2.5mg	2	$285.90
C343664-5mg	5mg	2	$513.90
C343664-10mg	10mg	3	$923.90
C343664-25mg	25mg	2	$2,077.90

Basic Description

Synonyms	8-Chloro-11-(4-piperidinylidene)-11H-benzo[5,6]cyclohepta[1,2-b]pyridine \| 13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene \| 8-CHLORO-11-(PIPERIDIN-4-YLIDENE)BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE \| FT-07
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzocycloheptapyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzocycloheptapyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzocycloheptapyridines
Alternative Parents	Pyridines and derivatives Piperidines Benzenoids Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzocycloheptapyridine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
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	504767955
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767955
IUPAC Name	13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
INCHI	InChI=1S/C19H17ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-6,9,12,21H,7-8,10-11H2
InChIKey	DSDQPELJDBELOW-UHFFFAOYSA-N
Smiles	C1CNCCC1=C2C3=C(C=CC4=C2N=CC=C4)C=C(C=C3)Cl
Isomeric SMILES	C1CNCCC1=C2C3=C(C=CC4=C2N=CC=C4)C=C(C=C3)Cl
Molecular Weight	308.8
Reaxy-Rn	14909862
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14909862&ln=

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

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Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2206756	Certificate of Analysis	May 12, 2025	C343664
H2206757	Certificate of Analysis	May 12, 2025	C343664
H2206758	Certificate of Analysis	May 12, 2025	C343664
H2206500	Certificate of Analysis	May 12, 2025	C343664

Chemical and Physical Properties

Sensitivity	Light sensitive
Melt Point(°C)	>163° C (dec.)
Molecular Weight	308.800 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	308.108 Da
Monoisotopic Mass	308.108 Da
Topological Polar Surface Area	24.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	462.000
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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