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6-Bromo-1,3-benzodioxole-5-carbonitrile - 97%, high purity , CAS No.6120-26-9

COA

Grade & Purity:

≥97%

Cas Number: 6120-26-9
Molecular Weight: 226.03
MDL number: MFCD02571372
PubChem CID: 2764398
PubChem SID: 488193394

In stock

Item Number

B171167

Grouped product items
SKU	Size	Availability	Price	Qty
B171167-1g	1g	5	$92.90
B171167-5g	5g	4	$438.90

Discover 6-Bromo-1,3-benzodioxole-5-carbonitrile by Aladdin Scientific in 97% for only $92.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	MFCD02571372 \| A868785 \| 6-Bromo-1,3-benzodioxole-5-carbonitrile, 97% \| AKOS005071361 \| DTXSID20377428 \| MB02421 \| 6-bromo-2H-1,3-benzodioxole-5-carbonitrile \| YJAZLOORQHTWFN-UHFFFAOYSA-N \| 8R-0201 \| FT-0680658 \| J-518420 \| 6-BROMOBENZO[D][1,3]DIOXOLE-5-C
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodioxoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodioxoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzodioxoles
Alternative Parents	Benzenoids Aryl bromides Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodioxole - Aryl bromide - Aryl halide - Benzenoid - Acetal - Carbonitrile - Nitrile - Oxacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
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	488193394
IUPAC Name	6-bromo-1,3-benzodioxole-5-carbonitrile
INCHI	InChI=1S/C8H4BrNO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,4H2
InChIKey	YJAZLOORQHTWFN-UHFFFAOYSA-N
Smiles	C1OC2=C(O1)C=C(C(=C2)C#N)Br
Isomeric SMILES	C1OC2=C(O1)C=C(C(=C2)C#N)Br
WGK Germany	3
Molecular Weight	226.03
Reaxy-Rn	162018
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162018&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
H2223075	Certificate of Analysis	Aug 30, 2022	B171167
H2223076	Certificate of Analysis	Aug 30, 2022	B171167

Chemical and Physical Properties

Melt Point(°C)	103 - 108 °C
Molecular Weight	226.030 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	224.943 Da
Monoisotopic Mass	224.943 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	224.000
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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