3-chloro-4-fluorophenyl isothiocyanate structure
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Common Name | 3-chloro-4-fluorophenyl isothiocyanate | ||
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CAS Number | 137724-66-4 | Molecular Weight | 187.62200 | |
Density | 1.31g/cm3 | Boiling Point | 115-117 °C (11 mmHg) | |
Molecular Formula | C7H3ClFNS | Melting Point | N/A | |
MSDS | N/A | Flash Point | 130-132°C/15mm |
Name | 2-chloro-1-fluoro-4-isothiocyanatobenzene |
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Synonym | More Synonyms |
Density | 1.31g/cm3 |
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Boiling Point | 115-117 °C (11 mmHg) |
Molecular Formula | C7H3ClFNS |
Molecular Weight | 187.62200 |
Flash Point | 130-132°C/15mm |
Exact Mass | 186.96600 |
PSA | 44.45000 |
LogP | 3.21340 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Lachrymator (substance which increases the flow of tears). Skin: May cause skin irritation. Toxic in contact with skin. Ingestion: May cause irritation of the digestive tract. Poison by ingestion. Inhalation: May cause respiratory tract irritation. Toxic if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 137724-66-4: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 115 - 117 deg C @ 11 mmHg 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: C7H3ClFNS Molecular Weight: 187.62 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Excess heat. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, acids, water, alcohols, amines. Hazardous Decomposition Products: Hydrogen chloride, hydrogen cyanide, sulfur dioxide, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas, sulfuric acid, nitric acid. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 137724-66-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chloro-4-fluorophenylisothiocyanate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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: II IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: II RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, 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# 137724-66-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 137724-66-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 137724-66-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | T,C |
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Risk Phrases | R23/24/25 |
Safety Phrases | S45-S36/37/39-S28A |
RIDADR | 2810 |
Packaging Group | III |
Hazard Class | 6.1 |
HS Code | 2930909090 |
~73% 3-chloro-4-fluo... CAS#:137724-66-4 |
Literature: Khatik, Gopal L.; Kaur, Jasmine; Kumar, Varun; Tikoo, Kulbhushan; Venugopalan; Nair, Vipin A. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 8 p. 3291 - 3301 |
~% 3-chloro-4-fluo... CAS#:137724-66-4 |
Literature: Collection of Czechoslovak Chemical Communications, , vol. 57, # 3 p. 656 - 659 |
~% 3-chloro-4-fluo... CAS#:137724-66-4 |
Literature: Journal of Agricultural and Food Chemistry, , vol. 49, # 11 p. 5279 - 5284 |
Precursor 3 | |
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DownStream 6 | |
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-Chloro-4-fluorophenyl isothiocyanate |
3-chloro-4-fluorobenzenisothiocyanate |
MFCD00060700 |
2-chloro-1-fluoro-4-isothiocyanato-benzene |