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3-(3-bromophenyl)oxetane - 97%, high purity , CAS No.1044507-52-9

COA

Grade & Purity:

≥97%

Cas Number: 1044507-52-9
Molecular Weight: 213.074
PubChem CID: 53484319

In stock

Item Number

B171799

Grouped product items
SKU	Size	Availability	Price	Qty
B171799-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,919.90

Basic Description

Synonyms	3-(3-Bromophenyl)oxetane \| 1044507-52-9 \| 3-(3-Bromo-phenyl)-oxetane \| SCHEMBL1810741 \| DTXSID90703912 \| IKNHAXGIHOUCCX-UHFFFAOYSA-N \| MFCD17012864 \| AKOS025290129 \| AM85460 \| PB34845 \| AS-32755 \| CS-0051763 \| FT-0756633 \| EN300-366596 \| A896229
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Oxetanes Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Oxetane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
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-(3-bromophenyl)oxetane
INCHI	InChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKey	IKNHAXGIHOUCCX-UHFFFAOYSA-N
Smiles	C1C(CO1)C2=CC(=CC=C2)Br
Isomeric SMILES	C1C(CO1)C2=CC(=CC=C2)Br
Molecular Weight	213.074
Reaxy-Rn	19002801
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19002801&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	213.070 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.984 Da
Monoisotopic Mass	211.984 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134.000
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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