3-(3-Chloroisoxazol-5-yl)propanoic acid - Reagent grade , CAS No.80403-82-3

CAS: 80403-82-3 Cat. No.: C479513 Molecular Weight: 175.57 EC Number: 675-253-9
AVAILABLE TO ORDER
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
STK297853 | EN300-83724 | MFCD02736475 | 3-(3-Chloroisoxazol-5-yl)propanoic acid, AldrichCPR | FT-0676677 | BBL009742 | DTXSID50351978 | 3-(3-chloro-1,2-oxazol-5-yl)propanoic acid | 3-(3-Chloro-isoxazol-5-yl)-propionic acid | HMS1552A13 | 3-(3-chloro-5-is
Storage
Room temperature
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Size
Status
Price
Qty
1g
C479513-1g
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$459.90

$537.90
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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
STK297853 | EN300-83724 | MFCD02736475 | 3-(3-Chloroisoxazol-5-yl)propanoic acid, AldrichCPR | FT-0676677 | BBL009742 | DTXSID50351978 | 3-(3-chloro-1, 2-oxazol-5-yl)propanoic acid | 3-(3-Chloro-isoxazol-5-yl)-propionic acid | HMS1552A13 | 3-(3-chloro-5-is
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Storage
Room temperature
Grade
Reagent Grade
Names and Identifiers
Canonical SmilesC1=C(ON=C1Cl)CCC(=O)O
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)propanoic acid
InChIKeyZGQBVKLPCMHTEI-UHFFFAOYSA-N
INCHI1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)
Isomeric SMILES C1=C(ON=C1Cl)CCC(=O)O
Molecular Weight 175.57
Reaxy-Rn 136385
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136385&ln=

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
SuperclassOrganohalogen compounds
ClassAryl halides
SubclassAryl chlorides
Intermediate Tree Nodes Not available
Direct ParentAryl chlorides
Alternative Parents Isoxazoles  Heteroaromatic compounds  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl chloride - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group.
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 Weight175.570 g/mol
XLogP31.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass175.004 Da
Monoisotopic Mass175.004 Da
Topological Polar Surface Area63.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity153.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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