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3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine - 95%, high purity , CAS No.26723-60-4

COA

Grade & Purity:

≥95%

Cas Number: 26723-60-4
Molecular Weight: 309.77
PubChem CID: 14950939

In stock

Item Number

C192426

Grouped product items
SKU	Size	Availability	Price	Qty
C192426-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C192426-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90

Discover 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	26723-60-4 \| 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine \| 3-CHLORO-6,11-DIHYDRO-6-METHYLDIBENZO[C,F][1,2]THIAZEPIN-11-OL 5,5-DIOXIDE \| 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol \| 3-Chloro-6,11-dihydro-6-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Organosulfonamides Benzenoids Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl chloride - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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	3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol
INCHI	InChI=1S/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3
InChIKey	KBRSJPHSCOAFDR-UHFFFAOYSA-N
Smiles	CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)O
Isomeric SMILES	CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)O
Molecular Weight	309.77
Reaxy-Rn	1144646
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1144646&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	309.800 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	309.023 Da
Monoisotopic Mass	309.023 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	464.000
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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