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1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene - 97%, high purity , CAS No.49610-35-7

COA

Grade & Purity:

≥97%

Cas Number: 49610-35-7
Molecular Weight: 412.124
PubChem CID: 4530279

In stock

Item Number

B176616

Grouped product items
SKU	Size	Availability	Price	Qty
B176616-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90

Basic Description

Synonyms	4,4'-Dibromo-1,1'-binaphthalene \| 49610-35-7 \| 1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene \| 4,4'-DIBROMO-1,1'-BINAPHTHYL \| MFCD00021409 \| SCHEMBL623432 \| YSZC1545 \| ZBA61035 \| AKOS024430116 \| PB18411 \| AS-34252 \| SY098531 \| CS-0052590 \| A871767 \| 4,4 inverted exclamation mark -Di
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Polybrominated biphenyl - Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic 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

IUPAC Name	1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene
INCHI	InChI=1S/C20H12Br2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12H
InChIKey	XRPQXUVMYUMLIC-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=CC=C2Br)C3=CC=C(C4=CC=CC=C43)Br
Isomeric SMILES	C1=CC=C2C(=C1)C(=CC=C2Br)C3=CC=C(C4=CC=CC=C43)Br
Molecular Weight	412.124
Reaxy-Rn	2287495
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2287495&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	412.100 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	411.929 Da
Monoisotopic Mass	409.931 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346.000
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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