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2-Bromo-6-fluoro-4-nitrophenol - 98%, high purity , CAS No.329-49-7

COA

Grade & Purity:

≥98%

Cas Number: 329-49-7
Molecular Weight: 236
PubChem CID: 20112021
PubChem SID: 504768893

In stock

Item Number

B183732

Grouped product items
SKU	Size	Availability	Price	Qty
B183732-1g	1g	5	$166.90
B183732-5g	5g	1	$549.90

Basic Description

Synonyms	2-bromo-6-fluoro-4-nitrophenol \| 329-49-7 \| MFCD09907952 \| SCHEMBL4660845 \| DTXSID10602599 \| AKOS005257589 \| FD10741 \| FS-3960 \| A875471 \| A1-61695
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Benzenoids
  - Class Phenols
    - Subclass Nitrophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Nitrophenols
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenols
Alternative Parents	Nitrobenzenes Nitroaromatic compounds O-bromophenols O-fluorophenols Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Organic salts Hydrocarbon derivatives Organobromides Organofluorides Organonitrogen compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenol - Nitrobenzene - Nitroaromatic compound - 2-halophenol - 2-bromophenol - 2-fluorophenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring 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	504768893
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768893
IUPAC Name	2-bromo-6-fluoro-4-nitrophenol
INCHI	InChI=1S/C6H3BrFNO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey	YJBBEHQOMCJIGN-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1F)O)Br)[N+](=O)[O-]
Isomeric SMILES	C1=C(C=C(C(=C1F)O)Br)[N+](=O)[O-]
Molecular Weight	236
Reaxy-Rn	3287083
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3287083&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
F2314840	Certificate of Analysis	Jun 21, 2023	B183732
F2314845	Certificate of Analysis	Jun 21, 2023	B183732
F2314847	Certificate of Analysis	Jun 21, 2023	B183732
F2314857	Certificate of Analysis	Jun 21, 2023	B183732

Chemical and Physical Properties

Molecular Weight	235.990 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	234.928 Da
Monoisotopic Mass	234.928 Da
Topological Polar Surface Area	66.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
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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