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8-Bromo-1h-benzo[d][1,3]oxazine-2,4-dione - 98%, high purity , CAS No.331646-98-1

COA

Grade & Purity:

≥98%

Cas Number: 331646-98-1
Molecular Weight: 242
PubChem CID: 25419109

In stock

Item Number

B183756

Grouped product items
SKU	Size	Availability	Price	Qty
B183756-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
B183756-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90

Discover 8-Bromo-1h-benzo[d][1,3]oxazine-2,4-dione by Aladdin Scientific in 98% for only $54.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	8-bromo-1h-benzo[d][1,3]oxazine-2,4-dione \| 331646-98-1 \| 3-Bromoisatoic anhydride \| 8-BROMO-1H-3,1-BENZOXAZINE-2,4-DIONE \| MFCD06738735 \| 8-BROMO-2H-3,1-BENZOXAZINE-2,4(1H)-DIONE \| 3-Bromoisatoicanhydride \| 8-bromo-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione \| SCHEMBL67390
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Aryl bromides Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazine - Aryl bromide - Aryl halide - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactone - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

Names and Identifiers

IUPAC Name	8-bromo-1H-3,1-benzoxazine-2,4-dione
INCHI	InChI=1S/C8H4BrNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
InChIKey	YRJWMRDVBYWGKK-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)Br)NC(=O)OC2=O
Isomeric SMILES	C1=CC2=C(C(=C1)Br)NC(=O)OC2=O
Molecular Weight	242
Reaxy-Rn	21706882
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21706882&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.030 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	240.937 Da
Monoisotopic Mass	240.937 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	256.000
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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