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2-Boc-4'-(Bromomethyl)biphenyl - ≥95%, high purity , CAS No.114772-40-6

COA

Grade & Purity:

≥95%

Cas Number: 114772-40-6
Molecular Weight: 347.24
PubChem CID: 9906257

In stock

Item Number

B768849

Grouped product items
SKU	Size	Availability	Price
B768849-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
B768849-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
B768849-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$317.90

Basic Description

Specifications & Purity	≥95%
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 Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Benzoic acid esters Benzyl bromides Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzyl bromide - Benzyl halide - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Hydrocarbon derivative - Alkyl bromide - Organic oxide - Organic oxygen compound - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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	tert-butyl 2-[4-(bromomethyl)phenyl]benzoate
INCHI	InChI=1S/C18H19BrO2/c1-18(2,3)21-17(20)16-7-5-4-6-15(16)14-10-8-13(12-19)9-11-14/h4-11H,12H2,1-3H3
InChIKey	YHXCWNQNVMAENQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
Isomeric SMILES	CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
PubChem CID	9906257
Molecular Weight	347.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	347.200 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	346.057 Da
Monoisotopic Mass	346.057 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	340.000
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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