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7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one , CAS No.55580-08-0

COA

Cas Number: 55580-08-0
Molecular Weight: 241.08
PubChem CID: 10681548

In stock

Item Number

B170973

Grouped product items
SKU	Size	Availability	Price
B170973-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
B170973-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
B170973-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$611.90

Discover 7-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one by Aladdin Scientific in for only $80.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID00443458 \| EN300-27245 \| 1-Benzoxepin-5(2H)-one, 7-bromo-3,4-dihydro- \| 7-bromo-3,4-dihydrobenz o[b]oxepin-5(2H)-one \| DS-16415 \| Z237731936 \| 7-bromo-3,4-dihydro-1-benzooxepin-5(2H)-one \| AKOS005363341 \| A870152 \| 7-bromo-3,4-dihydro-2H-1-benzoxepi
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxepines
Alternative Parents	Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxepine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Ketone - Oxacycle - Ether - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen 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

Names and Identifiers

IUPAC Name	7-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
INCHI	InChI=1S/C10H9BrO2/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKey	JMIWCASGALGDMJ-UHFFFAOYSA-N
Smiles	C1CC(=O)C2=C(C=CC(=C2)Br)OC1
Isomeric SMILES	C1CC(=O)C2=C(C=CC(=C2)Br)OC1
Molecular Weight	241.08
Reaxy-Rn	4982318
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4982318&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	241.080 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	239.979 Da
Monoisotopic Mass	239.979 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
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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