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6-Bromochroman-2-carboxylic acid - 97%, high purity , CAS No.99199-54-9

COA

Grade & Purity:

≥97%

Cas Number: 99199-54-9
Molecular Weight: 257.08
PubChem CID: 22351390
PubChem SID: 488200125

In stock

Item Number

B492350

Grouped product items
SKU	Size	Availability	Price
B492350-100mg	100mg	5	$98.90
B492350-250mg	250mg	3	$167.90
B492350-1g	1g	1	$449.90

Basic Description

Synonyms	6-Bromochroman-2-carboxylic acid \| 99199-54-9 \| 6-BROMOCHROMANE-2-CARBOXYLIC ACID \| 6-bromo-3,4-dihydro-2H-chromene-2-carboxylic acid \| 6-BROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID \| CS-WAA0227 \| SCHEMBL5152840 \| 6-Bromochroman-2-carboxylicacid \| DTXSID50625146 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	1-benzopyrans
Alternative Parents	Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzopyran - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
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	488200125
IUPAC Name	6-bromo-3,4-dihydro-2H-chromene-2-carboxylic acid
INCHI	InChI=1S/C10H9BrO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)
InChIKey	LDOBEICKZURYCC-UHFFFAOYSA-N
Smiles	C1CC2=C(C=CC(=C2)Br)OC1C(=O)O
Isomeric SMILES	C1CC2=C(C=CC(=C2)Br)OC1C(=O)O
Molecular Weight	257.08
Reaxy-Rn	13476509
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13476509&ln=

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

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Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K2219372	Certificate of Analysis	Sep 16, 2022	B492350
K2219373	Certificate of Analysis	Sep 16, 2022	B492350
K2219398	Certificate of Analysis	Sep 16, 2022	B492350
C2524094	Certificate of Analysis	Sep 16, 2022	B492350

Chemical and Physical Properties

Molecular Weight	257.079 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	255.974 Da
Monoisotopic Mass	255.974 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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