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Home> Encyclopedia >Aliphatic compounds>Organic Intermediate>Syntheses Material Intermediates
9-([1,1'-biphenyl]-3-yl)-3-broMo-9H-carbazole structure
9-([1,1'-biphenyl]-3-yl)-3-broMo-9H-carbazole structure

9-([1,1'-biphenyl]-3-yl)-3-broMo-9H-carbazole

Iupac Name:3-bromo-9-(3-phenylphenyl)carbazole
CAS No.: 1428551-28-3
Molecular Weight:398.29
Modify Date.: 2022-11-22 15:50
1. Names and Identifiers
1.1 Name
9-([1,1'-biphenyl]-3-yl)-3-broMo-9H-carbazole
1.2 Synonyms

3-BBPC 3-Bromo-9-([1,1'-biphenyl]-3-yl)carbazole 9-(3-Biphenylyl)-3-bromo-9H-carbazole 9-(3-Biphenylyl)-3-bromocarbazole 9-[1,1'-Biphenyl]-3-yl-3-bromo carbazole 9H-Carbazole, 9-[1,1'-biphenyl]-3-yl-3-bromo-

1.3 CAS No.
1428551-28-3
1.4 CID
89472056
1.5 Molecular Formula
C24H16BrN (isomer)
1.6 Inchi
InChI=1S/C24H16BrN/c25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17/h1-16H
1.7 InChkey
NSRPRPVECXNOLB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)Br)C5=CC=CC=C53
1.9 Isomers Smiles
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)Br)C5=CC=CC=C53
2. Properties
2.1 Density
1.32±0.1 g/cm3(Predicted)
2.1 Melting point
108.0 to 112.0 °C
2.1 Boiling point
570.3±42.0 °C(Predicted)
2.1 Refractive index
1.670
2.1 Flash Point
298.7±27.9 °C
2.1 Precise Quality
397.046600
2.1 PSA
4.93000
2.1 logP
7.21320
2.1 Appearance
White to Orange to Green powder to crystal
2.2 StorageTemp
Sealed in dry,Room Temperature
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Other Information
4.0 Application
9-([1,1'-Biphenyl]-3-yl)-3-bromo-9H-carbazole (cas# 1428551-28-3) is used as the OLED.
5. Computational chemical data
  • Molecular Weight: 398.29g/mol
  • Molecular Formula: C24H16BrN
  • Compound Is Canonicalized: True
  • XLogP3-AA: 7.3
  • Exact Mass: 397.04661
  • Monoisotopic Mass: 397.04661
  • Complexity: 473
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 4.9
  • Heavy Atom Count: 26
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceB6AAAAEAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB/AAAHABAAAABrAiBHgAwwPMMEACgAyRiRACCgCAhAiQImCAwZLgIIOLAkZGEIAhggADIyhcQgMAOgAAgUAACAAAAAECgAAQAAAAAAAAAAA==
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