1-(2-Fluorophenyl)cyclohexanecarboxylic acid structure
|
Common Name | 1-(2-Fluorophenyl)cyclohexanecarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 106795-66-8 | Molecular Weight | 222.25500 | |
| Density | N/A | Boiling Point | 356ºC at 760mmHg | |
| Molecular Formula | C13H15FO2 | Melting Point | 126-130ºC | |
| MSDS | N/A | Flash Point | 169.1ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(2-Fluorophenyl)cyclohexanecarboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 356ºC at 760mmHg |
|---|---|
| Melting Point | 126-130ºC |
| Molecular Formula | C13H15FO2 |
| Molecular Weight | 222.25500 |
| Flash Point | 169.1ºC |
| Exact Mass | 222.10600 |
| PSA | 37.30000 |
| LogP | 3.11220 |
| Vapour Pressure | 1.1E-05mmHg at 25°C |
| InChIKey | ODLLDVJLQPBPPC-UHFFFAOYSA-N |
| SMILES | O=C(O)C1(c2ccccc2F)CCCCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use extinguishing media most appropriate for the surrounding fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 106795-66-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 126-130 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C13H15FO2 Molecular Weight: 222.1022 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 106795-66-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(2-Fluorophenyl)Cyclohexanecarboxylic Acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 106795-66-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 106795-66-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 106795-66-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: SMILES notation of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is O=C(O)C1(c2ccccc2F)CCCCC1. |
| Q: What are the downstream products of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: Related downstream products(CAS) of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid: 4933-14-6. |
| Q: What are the upstream materials of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: Related upstream materials(CAS) of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid: 106795-61-3;82757-27-5;108-94-1;82757-29-7;345-35-7;106795-64-6. |
| Q: What is the InChIKey of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: InChIKey of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is ODLLDVJLQPBPPC-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: Molecular weight of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is 222.25500. |
| Q: What English synonyms does 1-(2-Fluorophenyl)cyclohexanecarboxylic acid have? |
| A: English synonyms of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid: 1-(2-fluorophenyl)cyclohexane-1-carboxylic acid. |
| Q: What is the polar surface area (PSA) of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: Polar surface area (PSA) of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is 37.30000. |
| Q: What is the LogP of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: LogP of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is 3.11220. |
| Q: What is the boiling point of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: Boiling point of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is 356ºC at 760mmHg. |
| Q: What is the English name of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid? |
| A: The English name of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid is 1-(2-Fluorophenyl)cyclohexanecarboxylic acid. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |