9,9-diphenyl-9H-fluoreN-2-ylboronicacid
- Iupac Name：(9,9-diphenylfluoren-2-yl)boronic acid
- CAS No.: 400607-31-0
- Molecular Weight：362.22816
- Modify Date.: 2022-11-04 05:40
1. Names and Identifiers
- 1.1 Name
- 9,9-diphenyl-9H-fluoreN-2-ylboronicacid
- 1.2 Synonyms
(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid 9,9-Diphenyl-9H-(fluorene-2-yl)-boronic acid 9,9-diphenyl-9H-fluoreN-2-ylboronicacid 9,9-Diphenylfluorene-2-boronic acid 9,9-Diphenylfluorene-2-boronic Acid (contains varying amounts of Anhydride) B-(9,9-Diphenyl-9H-fluoren-2-yl)boronic acid B-(9,9-Diphenyl-9H-fluoren-2-yl)-boronic Acid Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)- Boronic acid, B-(9,9-diphenyl-9H-fluoren-2-yl)- Boronic acid,B-(9,9-diphenyl-9H-fluoren-2-yl)-
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- 1.3 CAS No.
- 400607-31-0
- 1.4 CID
- 59343999
- 1.5 Molecular Formula
- C25H19BO2 (isomer)
- 1.6 Inchi
- InChI=1S/C25H19BO2/c27-26(28)20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27-28H
- 1.7 InChIkey
- CPFALCJMNUHBHP-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
- 1.9 Isomers Smiles
- B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
2. Properties
- 2.1 Density
- 1.28±0.1 g/cm3(Predicted)
- 2.1 Boiling point
- 546.3±60.0 °C(Predicted)
- 2.1 PSA
- 40.46000
- 2.1 logP
- 3.72950
- 2.1 Solubility
- Insuluble (2.3E-4 g/L) (25 oC),
- 2.2 Appearance
- White to Almost white powder to crystal
- 2.3 pKa
- 8.55±0.40(Predicted)
- 2.4 StorageTemp
- Inert atmosphere,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. Computational chemical data
- Molecular Weight: 362.22816g/mol
- Molecular Formula: C25H19BO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 362.1478100
- Monoisotopic Mass: 362.1478100
- Complexity: 505
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 40.5
- Heavy Atom Count: 28
- 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: AAADceJ4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGAAAAAAGABVAAoGAAACAAADgCAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAPgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
5. Question & Answer
-
9,9-diphenyl-9H-fluoreN-2-ylboronicacid is an organic acid compound that serves as an intermediate in organic synthesis. If inhaled, move the patient to fresh air. In case of skin contact, remove cont..
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7. Realated Product Infomation
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