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5-Acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine - ≥98.0%(GC)(N), high purity , CAS No.25961-11-9

COA

Grade & Purity:

≥98%(GC)(N)

Cas Number: 25961-11-9
Molecular Weight: 271.74
Beilstein Registry Number: 20(5)8,103
MDL number: MFCD01632170
PubChem CID: 117681
PubChem SID: 488187548

In stock

Item Number

C135807

Grouped product items
SKU	Size	Availability	Price
C135807-5g	5g	9	$30.90
C135807-25g	25g	1	$80.90
C135807-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90

View related series

Azepines (27) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	1-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone \| 50MZ2KM0ZX \| EINECS 247-371-7 \| 1-(3-Chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone \| DTXSID30180627 \| Ethanone, 1-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)- \| 5-Acetyl-3-chlor
Specifications & Purity	≥98%(GC)(N)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzazepines
    - Subclass Dibenzazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzazepines
Subclass	Dibenzazepines
Intermediate Tree Nodes	Not available
Direct Parent	Dibenzazepines
Alternative Parents	Azepines Benzenoids Aryl chlorides Tertiary carboxylic acid amides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzazepine - Azepine - Aryl chloride - Aryl halide - Benzenoid - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488187548
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187548
IUPAC Name	1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
INCHI	InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
InChIKey	NMZOSOMVILZBJL-UHFFFAOYSA-N
Smiles	CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
Isomeric SMILES	CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
Molecular Weight	271.74
Beilstein	20(5)8,103
Reaxy-Rn	1686033
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1686033&ln=

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

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

Analytical Chart:

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

2 results found

Lot Number	Certificate Type	Date	Item
D1728020	Certificate of Analysis	Nov 16, 2022	C135807
C2329018	Certificate of Analysis	Nov 16, 2022	C135807

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	124 °C
Molecular Weight	271.740 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	271.076 Da
Monoisotopic Mass	271.076 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346.000
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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