2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine - ≥97% , CAS No.927384-42-7

CAS: 927384-42-7 Cat. No.: B152576 Molecular Weight: 323.00

GRADE & PURITY ≥97%

Synonyms

AKOS015835207 | MFCD16038144 | CMB38442 | 2-Bromo-1-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)benzene | B3653 | BS-44520 | 2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine | 2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015835207 | MFCD16038144 | CMB38442 | 2-Bromo-1-(2, 3-dihydro-1H-naphtho[1, 8-de]-1, 3, 2-diazaborinyl)benzene | B3653 | BS-44520 | 2-(2-Bromophenyl)-2, 3-dihydro-1H-naphtho[1, 8-de][1, 3, 2]diazaborinine | 2-(2-Bromophenyl)-2, 3-dihydro-1H-naphtho[1, 8-de][1, 3

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=CC=C4Br
• IUPAC Name: 3-(2-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
• InChIKey: VHWWJBPYVUEFBM-UHFFFAOYSA-N
• INCHI: 1S/C16H12BBrN2/c18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(20-17)16(11)14/h1-10,19-20H
• Isomeric SMILES: B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=CC=C4Br
• Molecular Weight: 323.00
• Reaxy-Rn: 10686972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10686972&ln=

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

Data sources

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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Molecular Weight: 323.000 g/mol
• 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 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 333.000
• 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

XLogP3