3-Trifluoromethylbenzyl mercaptan structure
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Common Name | 3-Trifluoromethylbenzyl mercaptan | ||
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CAS Number | 25697-55-6 | Molecular Weight | 192.201 | |
Density | 1.3±0.1 g/cm3 | Boiling Point | 197.5±35.0 °C at 760 mmHg | |
Molecular Formula | C8H7F3S | Melting Point | N/A | |
MSDS | N/A | Flash Point | 74.1±14.2 °C |
Name | [3-(trifluoromethyl)phenyl]methanethiol |
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Synonym | More Synonyms |
Density | 1.3±0.1 g/cm3 |
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Boiling Point | 197.5±35.0 °C at 760 mmHg |
Molecular Formula | C8H7F3S |
Molecular Weight | 192.201 |
Flash Point | 74.1±14.2 °C |
Exact Mass | 192.022049 |
PSA | 38.80000 |
LogP | 3.31 |
Vapour Pressure | 0.5±0.4 mmHg at 25°C |
Index of Refraction | 1.486 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.Moisture sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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. Combustible liquid. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 25697-55-6: 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 - pale yellow Odor: stench pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 75 - 77 deg C @5mmHg Freezing/Melting Point: Not available. 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: C8H7F3S Molecular Weight: 192 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, bases, amines. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 25697-55-6 unlisted. LD50/LC50: Not available. Carcinogenicity: [3-(Trifluoromethyl)phenyl]methanethiol - 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: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 25697-55-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 25697-55-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 25697-55-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xn:Harmful; |
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Risk Phrases | R20/21/22 |
Safety Phrases | S23-S36/37 |
RIDADR | 2810 |
Packaging Group | III |
Hazard Class | 6.1 |
HS Code | 2930909090 |
~% 3-Trifluorometh... CAS#:25697-55-6 |
Literature: Journal of Medicinal Chemistry, , vol. 35, # 20 p. 3613 - 3624 |
~% 3-Trifluorometh... CAS#:25697-55-6 |
Literature: Journal of Medicinal Chemistry, , vol. 35, # 20 p. 3613 - 3624 |
HS Code | 2930909090 |
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Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
3-Trifluoromethylbenzyl mercaptan |
[3-(Trifluoromethyl)phenyl]methanethiol |
3-(Trifluoromethyl)phenylmethanethiol |
3-(Trifluoromethyl)benzyl mercaptan |
m-Trifluoromethylbenzyl mercaptan |
Benzenemethanethiol, 3-(trifluoromethyl)- |
MFCD00042435 |