5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole - Reagent grade , CAS No.938458-87-8

CAS: 938458-87-8 Cat. No.: B479813 Molecular Weight: 192.05 PubChem CID: 45791028
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GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
AKOS006283258 | BS-38721 | 5-(BROMOMETHYL)-3-ETHYL-4,5-DIHYDROISOXAZOLE | MFCD09055206 | 5-(Bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole | DTXSID30672375 | 5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole, AldrichCPR
Storage
Room temperature
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Size
Status
Price
Qty
1g
B479813-1g
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Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AKOS006283258 | BS-38721 | 5-(BROMOMETHYL)-3-ETHYL-4, 5-DIHYDROISOXAZOLE | MFCD09055206 | 5-(Bromomethyl)-3-ethyl-4, 5-dihydro-1, 2-oxazole | DTXSID30672375 | 5-(Bromomethyl)-3-ethyl-4, 5-dihydroisoxazole, AldrichCPR
Specifications & Purity
Reagent grade
Storage
Room temperature
Grade
Reagent Grade
Names and Identifiers
Canonical SmilesCCC1=NOC(C1)CBr
IUPAC Name5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole
InChIKeyAVZKDSYPBXYOLW-UHFFFAOYSA-N
INCHI1S/C6H10BrNO/c1-2-5-3-6(4-7)9-8-5/h6H,2-4H2,1H3
Isomeric SMILES CCC1=NOC(C1)CBr
WGK Germany 3
PubChem CID 45791028
Molecular Weight 192.05

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzolines
SubclassIsoxazolines
Intermediate Tree Nodes Not available
Direct ParentIsoxazolines
Alternative Parents Oxime ethers  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Organobromides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Isoxazoline - Oxime ether - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight192.050 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.995 Da
Monoisotopic Mass190.995 Da
Topological Polar Surface Area21.600 Ų
Heavy Atom Count9
Formal Charge0
Complexity124.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

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