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O-Acetylsalicyloyl Chloride - ≥95%, high purity , CAS No.5538-51-2

COA

Grade & Purity:

≥95%

Cas Number: 5538-51-2
Molecular Weight: 198.6
Beilstein Registry Number: 880372
MDL number: MFCD00000663
PubChem CID: 79668
PubChem SID: 504755398

In stock

Item Number

O160032

Grouped product items
SKU	Size	Availability	Price
O160032-5g	5g	3	$33.90
O160032-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$106.90
O160032-100g	100g	2	$383.90

View related series

Acyl halide (157) Non heterocyclic block (8163)

Basic Description

Synonyms	2-(Chlorocarbonyl)phenyl acetate \| 2-(chlorocarbonyl)-phenyl acetate \| Aspirin chloride \| EINECS 226-899-1 \| Acetylsalicyloyl chloride \| acetylsalicylic acid chloride \| 2-acetoxybenzoylchloride \| 67R3L2L9J7 \| 5-Beta-Cholanic Acid \| acetyl salicyloyl chlor
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	• O-Acetylsalicyloyl chloride was used in the synthesis of enantiomerically pure bidentate heteroorganic ligands built on simple achiral skeletons and containing an aziridine moiety. • It was used in the general synthesis of acetoxybenzamides. • It was used in the chemical synthesis of 2,2,6,6-tetramethyl-1-piperidinyloxy(TEMPO)-aspirin conjugate via condensation reaction with 4-hydroxy-TEMPO. • It was used as reagent in acylation of cyclobutenediones.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Salicylic acid and derivatives
        Level7 Acylsalicylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent	Acylsalicylic acids and derivatives
Alternative Parents	Phenol esters Phenoxy compounds Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylsalicylic acid or derivatives - Phenol ester - Phenoxy compound - Benzoyl - Carboxylic acid ester - Acyl chloride - Acyl halide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylsalicylic acids and derivatives. These are salicylic acids or derivatives, that are O-acylated.
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

Pubchem Sid	504755398
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755398
IUPAC Name	(2-carbonochloridoylphenyl) acetate
INCHI	InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
InChIKey	DSGKWFGEUBCEIE-UHFFFAOYSA-N
Smiles	CC(=O)OC1=CC=CC=C1C(=O)Cl
Isomeric SMILES	CC(=O)OC1=CC=CC=C1C(=O)Cl
WGK Germany	3
Molecular Weight	198.6
Beilstein	880372
Reaxy-Rn	880372
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880372&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G1706072	Certificate of Analysis	Feb 08, 2025	O160032
B2323190	Certificate of Analysis	Feb 03, 2023	O160032
B2323188	Certificate of Analysis	Feb 03, 2023	O160032
B2208459	Certificate of Analysis	Jan 05, 2022	O160032
B2208450	Certificate of Analysis	Jan 05, 2022	O160032
B2208449	Certificate of Analysis	Jan 05, 2022	O160032

Chemical and Physical Properties

Solubility	Soluble in toluene. Reacts with water.
Sensitivity	Moisture sensitive ;Hygroscopic
Refractive Index	1.54
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	135 °C/12 mmHg
Melt Point(°C)	49 °C
Molecular Weight	198.600 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	198.008 Da
Monoisotopic Mass	198.008 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	215.000
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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