HuagongsheHuagongshe Chemistry Print Report · For research reference only
Fluorenone-2-carboxylic acid
NSC 81258 · NSC 113321 · 2-Carboxyfluoren-9-one · LABOTEST-BB LT00153934 · 9-oxo-2-fluorenecarboxylate · Fluorenone-2-carboxylicacid · Fluorenone-2-carboxylic acid · 9-Oxo-2-fluorenecarboxyic Acid
Identifiers & Physical Properties
| CAS No. | 784-50-9 |
|---|---|
| Molecular formula | C14H8O3 |
| Average molar mass | 224.21 g/mol |
| Monoisotopic mass | 224.04734412 g/mol |
| SMILES | O=C(O)c1ccc2c(c1)C(=O)c1ccccc1-2 |
| InChIKey | BJCTXUUKONLPPK-UHFFFAOYSA-N |
| PubChem CID | 69913 |
| EC No. | 212-317-3 |
| DTXSID | DTXSID50229062 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 54.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 349 |
| Melting point | >300 °C (lit.) |
| Boiling point | 325.61°C (rough estimate) |
| Density | 1.2337 (rough estimate) |
| Refractive index | 1.5400 (estimate) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | Fine Powder |
| pKa (acidity coefficient) | 3.85±0.20(Predicted) |
| Color | Yellow |
| InChI | 1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17) |
| InChIKey | BJCTXUUKONLPPK-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2-c3ccccc3C(=O)c2c1 |
| CAS DataBase Reference | 784-50-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 9-Fluorenone-2-carboxylic acid(784-50-9) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29183000 |
| Storage class | 13 - Non Combustible Solids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29183000 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Hazard class | IRRITANT |
| Storage class | 13 - Non Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
9-Fluorenone-2-carboxylic Acid (cas# 784-50-9) is a compound useful in organic synthesis.