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3-(Bromomethyl)-5-methylisoxazole - 96%, high purity , CAS No.130628-75-0

COA

Grade & Purity:

≥96%

Cas Number: 130628-75-0
Molecular Weight: 176
PubChem CID: 2776304

In stock

Item Number

B181079

Grouped product items
SKU	Size	Availability	Price
B181079-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$715.90
B181079-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,765.90
B181079-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,494.90

Basic Description

Synonyms	3-(Bromomethyl)-5-methylisoxazole \| 130628-75-0 \| 3-(bromomethyl)-5-methyl-1,2-oxazole \| 3-Bromomethyl-5-methyl-isoxazole \| Isoxazole, 3-(bromomethyl)-5-methyl- \| MFCD02677720 \| 3-(bromomethyl)-5-methyl-isoxazole \| 3-bromomethyl-5-methylisoxazole \| Ketone, 2-fluorenyl me
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Isoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Isoxazoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoxazoles
Alternative Parents	Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
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-(bromomethyl)-5-methyl-1,2-oxazole
INCHI	InChI=1S/C5H6BrNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKey	ASGJFGPILHALRC-UHFFFAOYSA-N
Smiles	CC1=CC(=NO1)CBr
Isomeric SMILES	CC1=CC(=NO1)CBr
Molecular Weight	176
Reaxy-Rn	4243077
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4243077&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	176.010 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.963 Da
Monoisotopic Mass	174.963 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.800
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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