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4,4'-Dibromo-2-nitrobiphenyl - 98%, high purity , CAS No.439797-69-0

COA

Grade & Purity:

≥98%

Cas Number: 439797-69-0
Molecular Weight: 357.00
PubChem CID: 1519133
PubChem SID: 504760566

In stock

Item Number

D290406

Grouped product items
SKU	Size	Availability	Price
D290406-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
D290406-250mg	250mg	2	$22.90
D290406-1g	1g	2	$59.90
D290406-5g	5g	3	$179.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	D5189 \| STK520559 \| SCHEMBL5321726 \| AB9032 \| DTXSID30364001 \| AS-59871 \| InChI=1/C12H7Br2NO2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7H \| 4-bromo-1-(4-bromophenyl)-2-nitrobenzene \| FMSJGXRUJCWSJL-UHFFFAOYSA- \| 4,4'-dibromo-2-nitrobiphenyl \| 4,
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Brominated biphenyls
        Level6 Polybrominated biphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Brominated biphenyls
Direct Parent	Polybrominated biphenyls
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Polybrominated biphenyl - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
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	504760566
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760566
IUPAC Name	4-bromo-1-(4-bromophenyl)-2-nitrobenzene
INCHI	InChI=1S/C12H7Br2NO2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7H
InChIKey	FMSJGXRUJCWSJL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=C(C=C(C=C2)Br)[N+](=O)[O-])Br
Isomeric SMILES	C1=CC(=CC=C1C2=C(C=C(C=C2)Br)[N+](=O)[O-])Br
Molecular Weight	357.00
Reaxy-Rn	3322841
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3322841&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2414514	Certificate of Analysis	Jan 22, 2024	D290406
C2414516	Certificate of Analysis	Jan 22, 2024	D290406
C2414503	Certificate of Analysis	Jan 22, 2024	D290406
C2414504	Certificate of Analysis	Jan 22, 2024	D290406
C2414505	Certificate of Analysis	Jan 22, 2024	D290406
C2414515	Certificate of Analysis	Jan 22, 2024	D290406

Chemical and Physical Properties

Melt Point(°C)	127 °C
Molecular Weight	357.000 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	356.882 Da
Monoisotopic Mass	354.884 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	274.000
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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