9-Phenyl-9H-carbazol-3-ylboronic acid
- Iupac Name：(9-phenylcarbazol-3-yl)boronic acid
- CAS No.: 854952-58-2
- Molecular Weight：287.125
- Modify Date.: 2022-11-06 11:55
- Introduction: 9-Phenyl-9H-carbazol-3-ylboronic acid is suzuki reaction
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1. Names and Identifiers
- 1.1 Name
- 9-Phenyl-9H-carbazol-3-ylboronic acid
- 1.2 Synonyms
(9-phenyl)carbazole-3-boronic acid pinacol ester (9-Phenylcarbazol-3-yl)boronic acid 3-BAPC B-[3-(9-phenyl-9H-carbazole-3-yl)phenyl]-boronic acid Carbazol-9-phenyl-3-boronic acid N-phenyl-3-oxazole boric acid N-Phenylcarbazol-3-boronic acid PCZ-BOH
- 1.3 CAS No.
- 854952-58-2
- 1.4 CID
- 51358450
- 1.5 Molecular Formula
- C18H14BNO2 (isomer)
- 1.6 Inchi
- InChI=1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
- 1.7 InChkey
- JWJQEUDGBZMPAX-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
- 1.9 Isomers Smiles
- B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
2. Properties
- 2.1 Density
- 1.20
- 2.1 Boiling point
- 466 °C at 760 mmHg
- 2.1 Refractive index
- 1.638
- 2.1 Flash Point
- 235.6 °C
- 2.1 Precise Quality
- 287.11200
- 2.1 PSA
- 45.39000
- 2.1 logP
- 2.46350
- 2.1 Appearance
- White to Light yellow powder to crystal
- 2.2 Storage
- Keep Cold. Store under Nitrogen.
- 2.3 pKa
- 8.85±0.30(Predicted)
- 2.4 Water Solubility
- Slightly soluble in water.
3. Use and Manufacturing
- 3.1 Usage
- 9-Phenyl-9H-carbazol-3-ylboronic acid is suzuki reaction
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
854952-58-2Total: 12 Synthesis Route
8. Other Information
- 8.0 Usage
- 9-Phenylcarbazole-3-boronic acid is used in the synthesis of alkyl-functionalized organic dyes.
9. Computational chemical data
- Molecular Weight: 287.125g/mol
- Molecular Formula: C18H14BNO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 287.1117589
- Monoisotopic Mass: 287.1117589
- Complexity: 385
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 45.4
- Heavy Atom Count: 22
- 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: AAADccJ6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB/AAoHAAACAAADAiBHgAwwPMMEACgAyRiRACCgCAhAiAImCAwZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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11. Realated Product Infomation
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