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6-Bromo-isochroman - 96%, high purity , CAS No.182949-90-2

COA

Grade & Purity:

≥96%

Cas Number: 182949-90-2
Molecular Weight: 213.1
PubChem CID: 10774936

In stock

Item Number

B182269

Grouped product items
SKU	Size	Availability	Price	Qty
B182269-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
B182269-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$596.90

Discover 6-Bromo-isochroman by Aladdin Scientific in 96% for only $221.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-bromoisochroman \| 182949-90-2 \| 6-Bromo-isochroman \| 6-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN \| 6-BROMOISOCHROMANE \| 1H-2-Benzopyran, 6-bromo-3,4-dihydro- \| 6-BROMO-3,4-DIHYDRO-1H-ISOCHROMENE \| MFCD11226898 \| 6-Bromo-isochromane \| SCHEMBL5366924 \| DTXSID40444727 \| BCP08491 \| AKOS01
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 2-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	2-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2-benzopyrans
Alternative Parents	Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-benzopyran - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-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 2-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

IUPAC Name	6-bromo-3,4-dihydro-1H-isochromene
INCHI	InChI=1S/C9H9BrO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6H2
InChIKey	LHXQWWFCWFMCHO-UHFFFAOYSA-N
Smiles	C1COCC2=C1C=C(C=C2)Br
Isomeric SMILES	C1COCC2=C1C=C(C=C2)Br
Molecular Weight	213.1
Reaxy-Rn	7527031
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7527031&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	213.070 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	211.984 Da
Monoisotopic Mass	211.984 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138.000
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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