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2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride - 97%, high purity , CAS No.27685-90-1

COA

Grade & Purity:

≥97%

Cas Number: 27685-90-1
Molecular Weight: 233.6
PubChem CID: 119698
PubChem SID: 488187611

In stock

Item Number

O183379

Grouped product items
SKU	Size	Availability	Price
O183379-250mg	250mg	3	$29.90
O183379-1g	1g	4	$74.90
O183379-5g	5g	3	$256.90

Discover 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride by Aladdin Scientific in 97% for only $29.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	27685-90-1 \| 2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride \| 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo- \| 2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride \| 2-Oxo-2,3-dihydro-benzooxazole-6-sulfonyl chloride \| 2-oxo-3H-1,3-benzoxazole-6-sulfonyl
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	Benzenoids Sulfonyls Sulfonyl chlorides Oxazoles Organosulfonic acids and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - Benzenoid - Azole - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Azacycle - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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	488187611
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187611
IUPAC Name	2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
INCHI	InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)
InChIKey	IBHCNMJSVDRBSY-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2
Isomeric SMILES	C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2
Molecular Weight	233.6
Reaxy-Rn	197868
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=197868&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2316083	Certificate of Analysis	Nov 04, 2022	O183379
B2316590	Certificate of Analysis	Nov 04, 2022	O183379
B2316085	Certificate of Analysis	Nov 04, 2022	O183379
B2316087	Certificate of Analysis	Nov 04, 2022	O183379
B2315875	Certificate of Analysis	Nov 04, 2022	O183379

Chemical and Physical Properties

Molecular Weight	233.630 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	232.955 Da
Monoisotopic Mass	232.955 Da
Topological Polar Surface Area	80.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	349.000
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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