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Isatoic Anhydride - >98.0%(HPLC)(T), high purity , CAS No.118-48-9

COA

Grade & Purity:

≥98%(HPLC)(T)

Cas Number: 118-48-9
Molecular Weight: 163.13
Beilstein Registry Number: 27264
MDL number: MFCD00006700
PubChem CID: 8359
PubChem SID: 504751654

In stock

Item Number

I157688

Grouped product items
SKU	Size	Availability	Price
I157688-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I157688-100g	100g	3	$25.90
I157688-250g	250g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$56.90
I157688-500g	500g	3	$74.90

View related series

Carbonyl compound (2335) Carboxylic anhydride (130)

Basic Description

Synonyms	Tox21_201325 \| A803947 \| BP-10896 \| DTXSID6026955 \| ISATOIC ACID ANHYDRIDE [HSDB] \| CAS-118-48-9 \| s12335 \| 2,4-dioxo-1H-3,1-benzoxazine \| ISATOIC ACID ANHYDRIDE \| NCGC00257195-01 \| 1H-[3,1]benzoxazine-2,4-dione \| Isatoic anhydride treated BSA \| Isatoic a
Specifications & Purity	≥98%(HPLC)(T)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazines
Alternative Parents	Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504751654
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751654
IUPAC Name	1H-3,1-benzoxazine-2,4-dione
INCHI	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey	TXJUTRJFNRYTHH-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)OC(=O)N2
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)OC(=O)N2
RTECS	DM3100000
Molecular Weight	163.13
Beilstein	27264
Reaxy-Rn	136786
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136786&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.

13 results found

Lot Number	Certificate Type	Date	Item
E1712171	Certificate of Analysis	Jan 07, 2025	I157688
J2019241	Certificate of Analysis	Aug 13, 2024	I157688
J2019240	Certificate of Analysis	Aug 13, 2024	I157688
J2019242	Certificate of Analysis	Aug 13, 2024	I157688
G2418247	Certificate of Analysis	Apr 28, 2024	I157688
G2418248	Certificate of Analysis	Apr 28, 2024	I157688
G2415253	Certificate of Analysis	Apr 28, 2024	I157688
G2415254	Certificate of Analysis	Apr 28, 2024	I157688
B2225437	Certificate of Analysis	Dec 16, 2021	I157688
B2225545	Certificate of Analysis	Dec 16, 2021	I157688
B2225530	Certificate of Analysis	Dec 16, 2021	I157688
B2225436	Certificate of Analysis	Dec 16, 2021	I157688
F2519784	Certificate of Analysis	Dec 16, 2021	I157688

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Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	233°C
Molecular Weight	163.130 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.027 Da
Monoisotopic Mass	163.027 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	226.000
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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