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6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine - 95%, high purity , CAS No.887267-84-7

COA

Grade & Purity:

≥95%

Cas Number: 887267-84-7
Molecular Weight: 252.01
PubChem CID: 40427075
PubChem SID: 504770158

In stock

Item Number

A187780

Grouped product items
SKU	Size	Availability	Price
A187780-250mg	250mg	2	$22.90
A187780-1g	1g	3	$74.90
A187780-5g	5g	2	$273.90
A187780-10g	10g	2	$491.90

Basic Description

Synonyms	887267-84-7 \| 6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine \| 5-Amino-6-bromo-2,2-difluorobenzodioxole \| 6-Bromo-2,2-difluoro-1,3-benzodioxol-5-amine \| 5-AMINO-6-BROMO-2,2-DIFLOUOROBENZODIOXOLE \| SCHEMBL3342338 \| DTXSID10654235 \| ZKILVLUCVYGVMI-UHFFFAOYSA-N \| MFCD04972
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	2-bromoanilines Aryl bromides Oxacyclic compounds Primary amines Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodioxole - 2-bromoaniline - Aryl bromide - Aryl halide - Benzenoid - Oxacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Hydrocarbon derivative - 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	504770158
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770158
IUPAC Name	6-bromo-2,2-difluoro-1,3-benzodioxol-5-amine
INCHI	InChI=1S/C7H4BrF2NO2/c8-3-1-5-6(2-4(3)11)13-7(9,10)12-5/h1-2H,11H2
InChIKey	ZKILVLUCVYGVMI-UHFFFAOYSA-N
Smiles	C1=C(C(=CC2=C1OC(O2)(F)F)Br)N
Isomeric SMILES	C1=C(C(=CC2=C1OC(O2)(F)F)Br)N
Molecular Weight	252.01
Reaxy-Rn	31407530
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31407530&ln=

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

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8 results found

Lot Number	Certificate Type	Date	Item
G2329101	Certificate of Analysis	Jun 30, 2023	A187780
G2329091	Certificate of Analysis	Jun 30, 2023	A187780
G2329095	Certificate of Analysis	Jun 30, 2023	A187780
G2329102	Certificate of Analysis	Jun 30, 2023	A187780
G2329099	Certificate of Analysis	Jun 30, 2023	A187780
G2329105	Certificate of Analysis	Jun 30, 2023	A187780
G2329089	Certificate of Analysis	Jun 30, 2023	A187780
G2329094	Certificate of Analysis	Jun 30, 2023	A187780

Chemical and Physical Properties

Sensitivity	Light sensitiv
Molecular Weight	252.010 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	250.939 Da
Monoisotopic Mass	250.939 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
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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