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6-Bromo-2-methyl-4h-3,1-benzoxazin-4-one - 96%, high purity , CAS No.19165-25-4

COA

Grade & Purity:

≥96%

Cas Number: 19165-25-4
Molecular Weight: 240.1
PubChem CID: 2797142

In stock

Item Number

B182411

Grouped product items
SKU	Size	Availability	Price	Qty
B182411-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,144.90
B182411-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,245.90

Discover 6-Bromo-2-methyl-4h-3,1-benzoxazin-4-one by Aladdin Scientific in 96% for only $1,144.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	19165-25-4 \| 6-Bromo-2-methyl-4H-3,1-benzoxazin-4-one \| 6-bromo-2-methyl-4H-benzo[d][1,3]oxazin-4-one \| 6-bromo-2-methyl-3,1-benzoxazin-4-one \| 6-Bromo-2-methylbenzo[d][1,3]oxazin-4-one \| MFCD00115891 \| 6-bromo-2-methyl-benzo[d][1,3]oxazin-4-one \| Maybridge1_000764 \| 4H-
Specifications & Purity	≥96%
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 Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazine - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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	6-bromo-2-methyl-3,1-benzoxazin-4-one
INCHI	InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChIKey	JCRULBKTDUOWMP-UHFFFAOYSA-N
Smiles	CC1=NC2=C(C=C(C=C2)Br)C(=O)O1
Isomeric SMILES	CC1=NC2=C(C=C(C=C2)Br)C(=O)O1
Molecular Weight	240.1
Reaxy-Rn	140709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140709&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	240.050 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	238.958 Da
Monoisotopic Mass	238.958 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	264.000
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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