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2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine - 98%, high purity , CAS No.927384-44-9

COA

Grade & Purity:

≥98%

Cas Number: 927384-44-9
Molecular Weight: 323
MDL number: MFCD16038141
PubChem CID: 53384413
PubChem SID: 504771181

In stock

Item Number

B152578

Grouped product items
SKU	Size	Availability	Price
B152578-250mg	250mg	3	$9.90
B152578-1g	1g	3	$29.90
B152578-5g	5g	3	$147.90

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Boron compound (145) Element classified compounds (2014)

Basic Description

Synonyms	DTXSID00693714 \| 3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene \| 3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13]trideca-1(12),5,7,9(13),10-pentaene \| T71468 \| A920384 \| SCHEMBL16016656 \| 4-Bromo-1-(2,3
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Bromobenzenes Aryl bromides Boronic acid derivatives Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthalene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organobromide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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	504771181
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771181
IUPAC Name	3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
INCHI	InChI=1S/C16H12BBrN2/c18-13-9-7-12(8-10-13)17-19-14-5-1-3-11-4-2-6-15(20-17)16(11)14/h1-10,19-20H
InChIKey	NKGYQJVDGSWXFR-UHFFFAOYSA-N
Smiles	B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)Br
Isomeric SMILES	B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)Br
Molecular Weight	323
Reaxy-Rn	10686860
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10686860&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2202213	Certificate of Analysis	Sep 15, 2022	B152578
K2202200	Certificate of Analysis	Sep 15, 2022	B152578
K2202211	Certificate of Analysis	Sep 15, 2022	B152578

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Molecular Weight	323.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	322.028 Da
Monoisotopic Mass	322.028 Da
Topological Polar Surface Area	24.100 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	325.000
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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