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3-(4-bromophenyl)oxetan-3-ol - 97%, high purity , CAS No.1093878-32-0

COA

Grade & Purity:

≥97%

Cas Number: 1093878-32-0
Molecular Weight: 229.073
PubChem CID: 58382379

In stock

Item Number

B171982

Grouped product items
SKU	Size	Availability	Price	Qty
B171982-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,919.90

Basic Description

Synonyms	3-(4-BROMOPHENYL)OXETAN-3-OL \| 1093878-32-0 \| MFCD16657878 \| SCHEMBL744149 \| KNQDDTUCGFNECR-UHFFFAOYSA-N \| 3-(4-bromo-phenyl)-oxetan-3-ol \| AMY32088 \| AKOS016015801 \| PB11174 \| AS-32749 \| SY098643 \| CS-0051748 \| FT-0734932 \| EN300-322987 \| A895055
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 Tertiary alcohols Oxetanes Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - Tertiary alcohol - Oxetane - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - 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-(4-bromophenyl)oxetan-3-ol
INCHI	InChI=1S/C9H9BrO2/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4,11H,5-6H2
InChIKey	KNQDDTUCGFNECR-UHFFFAOYSA-N
Smiles	C1C(CO1)(C2=CC=C(C=C2)Br)O
Isomeric SMILES	C1C(CO1)(C2=CC=C(C=C2)Br)O
Molecular Weight	229.073
Reaxy-Rn	20883717
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20883717&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	229.070 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.979 Da
Monoisotopic Mass	227.979 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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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