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8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one - 98%, high purity , CAS No.31251-41-9

COA

Grade & Purity:

≥98%

Cas Number: 31251-41-9
Molecular Weight: 243.69
MDL number: MFCD00800222
PubChem CID: 9816260
PubChem SID: 488196324

In stock

Item Number

C154018

Grouped product items
SKU	Size	Availability	Price
C154018-1g	1g	7	$31.90
C154018-5g	5g	6	$121.90
C154018-25g	25g	4	$304.90
C154018-100g	100g	2	$1,094.90

View related series

Halogenated heterocyclic block (1171) Pyridines (1259)

Basic Description

Synonyms	LORATADINE IMPURITY B [EP IMPURITY] \| 3-methyltetrahydrofuran-2-one \| C3181 \| Q27294379 \| SY053120 \| [1,4]-dithiane-2,5-diol \| WMQNOYVVLMIZDV-UHFFFAOYSA-N \| 13-chloro-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one \| UNII-8A0GW472W3 \| 8
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	Aryl ketones Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzocycloheptapyridine - Aryl ketone - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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	488196324
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196324
IUPAC Name	13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
INCHI	InChI=1S/C14H10ClNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2
InChIKey	WMQNOYVVLMIZDV-UHFFFAOYSA-N
Smiles	C1CC2=C(C=CC(=C2)Cl)C(=O)C3=C1C=CC=N3
Isomeric SMILES	C1CC2=C(C=CC(=C2)Cl)C(=O)C3=C1C=CC=N3
Molecular Weight	243.69
Reaxy-Rn	1465917
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1465917&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2318833	Certificate of Analysis	Mar 11, 2023	C154018
D2318846	Certificate of Analysis	Mar 11, 2023	C154018
D2318829	Certificate of Analysis	Mar 11, 2023	C154018
D2318862	Certificate of Analysis	Mar 11, 2023	C154018
D2318826	Certificate of Analysis	Mar 11, 2023	C154018
D2318817	Certificate of Analysis	Mar 11, 2023	C154018
D2318825	Certificate of Analysis	Mar 11, 2023	C154018
D2318777	Certificate of Analysis	Mar 11, 2023	C154018

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Heat Sensitive
Melt Point(°C)	103-107℃
Molecular Weight	243.690 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	243.045 Da
Monoisotopic Mass	243.045 Da
Topological Polar Surface Area	30.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	307.000
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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