3-(3,5-Difluorophenyl)acrylic acid structure
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Common Name | 3-(3,5-Difluorophenyl)acrylic acid | ||
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CAS Number | 84315-23-1 | Molecular Weight | 184.139 | |
Density | 1.4±0.1 g/cm3 | Boiling Point | 272.0±25.0 °C at 760 mmHg | |
Molecular Formula | C9H6F2O2 | Melting Point | 204-205 °C(lit.) | |
MSDS | Chinese | Flash Point | 118.3±23.2 °C |
Name | 3,5-Difluorocinnamic Acid |
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Synonym | More Synonyms |
Density | 1.4±0.1 g/cm3 |
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Boiling Point | 272.0±25.0 °C at 760 mmHg |
Melting Point | 204-205 °C(lit.) |
Molecular Formula | C9H6F2O2 |
Molecular Weight | 184.139 |
Flash Point | 118.3±23.2 °C |
Exact Mass | 184.033585 |
PSA | 37.30000 |
LogP | 2.70 |
Vapour Pressure | 0.0±0.6 mmHg at 25°C |
Index of Refraction | 1.569 |
Synonym:None known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Effects may be delayed. 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 84315-23-1: 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: Powder Color: almost white to light gray Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 204 - 205 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: F2C6H3CH=CHCO2H Molecular Weight: 184.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 84315-23-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,5-Difluorocinnamic 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 37/39 Wear suitable gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 84315-23-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 84315-23-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 84315-23-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi |
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Risk Phrases | R36/37/38 |
Safety Phrases | S26-S36-S26/37/39 |
WGK Germany | 3 |
HS Code | 2916399090 |
~% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494 |
~% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494 |
~% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494 |
~65% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494 |
~% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: EP323737 A1, ; |
~% 3-(3,5-Difluoro... CAS#:84315-23-1 |
Literature: Journal of Medicinal Chemistry, , vol. 30, # 3 p. 486 - 494 |
Precursor 7 | |
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DownStream 5 | |
HS Code | 2916399090 |
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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% |
3-(3,5-Difluorophenyl)acrylic acid |
2-Propenoic acid, 3-(3,5-difluorophenyl)- |
3,5-difluorocinnamic acid |
MFCD00010321 |