Fluorene-9-carboxylic acid - CAS 1989-33-9
Catalog: |
BB015366 |
Product Name: |
Fluorene-9-carboxylic acid |
CAS: |
1989-33-9 |
Synonyms: |
9H-fluorene-9-carboxylic acid |
IUPAC Name: | 9H-fluorene-9-carboxylic acid |
Description: | Fluorene-9-carboxylic acid (CAS# 1989-33-9) is a building block in the synthesis of various pharmaceutical and biologically active compounds. It is used in the synthesis of Lomitapide, a drug for the treatment of familial hypercholesterolemia. |
Molecular Weight: | 210.23 |
Molecular Formula: | C14H10O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O |
InChI: | InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16) |
InChI Key: | DNVJGJUGFFYUPT-UHFFFAOYSA-N |
Boiling Point: | 314.9 °C at 760 mmHg |
Purity: | > 97.0 % (T) |
Density: | 1.333 g/cm3 |
Appearance: | White to yellow crystalline powder |
MDL: | MFCD00001136 |
LogP: | 2.88350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22703955 | 20120720 | Isolation and estimation of the 'aromatic' naphthenic acid content of an oil sands process-affected water extract | Journal of chromatography. A |
18220445 | 20080601 | Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using Knudsen effusion | Environmental toxicology and chemistry |
16952130 | 20061124 | Inorganic-cored photoactive assemblies: synthesis, structure, and photochemical investigations on stannoxane-supported multifluorene compounds | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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