Methyl 2-chloro-4-fluorobenzoate structure
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Common Name | Methyl 2-chloro-4-fluorobenzoate | ||
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CAS Number | 85953-29-3 | Molecular Weight | 188.583 | |
Density | 1.3±0.1 g/cm3 | Boiling Point | 224.3±20.0 °C at 760 mmHg | |
Molecular Formula | C8H6ClFO2 | Melting Point | 103-105ºC | |
MSDS | N/A | Flash Point | 93.5±10.9 °C |
Name | Methyl 2-Chloro-4-fluorobenzoate |
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Synonym | More Synonyms |
Density | 1.3±0.1 g/cm3 |
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Boiling Point | 224.3±20.0 °C at 760 mmHg |
Melting Point | 103-105ºC |
Molecular Formula | C8H6ClFO2 |
Molecular Weight | 188.583 |
Flash Point | 93.5±10.9 °C |
Exact Mass | 188.004028 |
PSA | 26.30000 |
LogP | 2.12 |
Vapour Pressure | 0.1±0.4 mmHg at 25°C |
Index of Refraction | 1.510 |
Storage condition | Room temperature. |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. 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: 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 85953-29-3: Personal Protective Equipment Eyes: Not available. 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 103 - 105 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: C8H6ClFO2 Molecular Weight: 189 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, acids, bases, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 85953-29-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2-chloro-4-fluorobenzoate - 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 No information available. IMO No information available. RID/ADR No information available. 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 85953-29-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 85953-29-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 85953-29-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi:Irritant; |
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Risk Phrases | R36/37/38 |
Safety Phrases | S26-S36/37/39-S37/39 |
RIDADR | 1993 |
~97% Methyl 2-chloro... CAS#:85953-29-3 |
Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2004/46120 A2, 2004 ; Location in patent: Page 175; 176 ; WO 2004/046120 A2 |
~% Methyl 2-chloro... CAS#:85953-29-3 |
Literature: US4670046 A1, ; |
~97% Methyl 2-chloro... CAS#:85953-29-3 |
Literature: LaBeaume, Paul; Placzek, Michael; Daniels, Mathew; Kendrick, Ian; Ng, Patrick; McNeel, Melissa; Afroze, Roushan; Alexander, Abigail; Thomas, Rhiannon; Kallmerten, Amy E.; Jones, Graham B. Tetrahedron Letters, 2010 , vol. 51, # 14 p. 1906 - 1909 |
GR CF FVO1 |
2-Chloro-4-fluorobenzoic acid methyl ester |
MFCD00173937 |
Benzoic acid, 2-chloro-4-fluoro-, methyl ester |
Methyl 2-chloro-4-fluorobenzoate |