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4-Bromo-1,1′:3′,1′′-terphenyl - 97%, high purity , CAS No.54590-37-3

COA

Grade & Purity:

≥97%

Cas Number: 54590-37-3
Molecular Weight: 309.2
MDL number: MFCD20486761
PubChem CID: 14452534
PubChem SID: 504767644

In stock

Item Number

B170914

Grouped product items
SKU	Size	Availability	Price	Qty
B170914-1g	1g	5	$55.90
B170914-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$250.90

Basic Description

Synonyms	AKOS024258200 \| 1~4~-Bromo-1~1~,2~1~:2~3~,3~1~-terphenyl \| 1,1':3',1''-Terphenyl,4-bromo- \| DTXSID20560474 \| MFCD20486761 \| SCHEMBL1270442 \| 4-Bromo-m-terphenyl \| A851660 \| 4-Bromo-1,1':3',1''-terphenyl, 97% \| FT-0698560 \| PS-11046 \| 4-Bromo-1,1 inverted
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 Terphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Terphenyls
Intermediate Tree Nodes	Not available
Direct Parent	M-terphenyls
Alternative Parents	Brominated biphenyls Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta-terphenyl - Brominated biphenyl - Biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
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	504767644
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767644
IUPAC Name	1-bromo-4-(3-phenylphenyl)benzene
INCHI	InChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H
InChIKey	XWHCOAVJEOENNM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Br
Isomeric SMILES	C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)Br
WGK Germany	3
Molecular Weight	309.2
Reaxy-Rn	1965565
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1965565&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
D2026115	Certificate of Analysis	Feb 03, 2023	B170914
E2331256	Certificate of Analysis	Feb 03, 2023	B170914

Chemical and Physical Properties

Melt Point(°C)	90-95 °C
Molecular Weight	309.200 g/mol
XLogP3	5.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	308.02 Da
Monoisotopic Mass	308.02 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	261.000
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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