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4-Bromo-7-hydroxy-1-indanone - 97%, high purity , CAS No.81945-13-3

COA

Grade & Purity:

≥97%

Cas Number: 81945-13-3
Molecular Weight: 227.05
MDL number: MFCD00463881
PubChem CID: 3718050

In stock

Item Number

B469706

Grouped product items
SKU	Size	Availability	Price
B469706-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
B469706-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$218.90
B469706-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$900.90

Basic Description

Synonyms	4-bromo-7-hydroxy-2,3-dihydro-1H-inden-1-one \| STK366089 \| AS-66137 \| 1H-Inden-1-one,4-bromo-2,3-dihydro-7-hydroxy \| A864476 \| Y11690 \| MFCD00463881 \| SCHEMBL2294753 \| 4-bromo-7-hydroxy-2,3-dihydroinden-1-one \| 4-Bromo-2,3-dihydro-7-hydroxy-1H-inden-1-one
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	P-bromophenols Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanone - 4-halophenol - 4-bromophenol - Aryl ketone - Aryl alkyl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl bromide - Vinylogous acid - Ketone - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
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	4-bromo-7-hydroxy-2,3-dihydroinden-1-one
INCHI	InChI=1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKey	ZTWBCFVYMDBPPD-UHFFFAOYSA-N
Smiles	C1CC(=O)C2=C(C=CC(=C21)Br)O
Isomeric SMILES	C1CC(=O)C2=C(C=CC(=C21)Br)O
Molecular Weight	227.05
Reaxy-Rn	1240295
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1240295&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	144-148℃
Molecular Weight	227.050 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.963 Da
Monoisotopic Mass	225.963 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205.000
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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