3,5-dimethoxyphenyl isothiocyanate structure
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Common Name | 3,5-dimethoxyphenyl isothiocyanate | ||
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CAS Number | 104968-58-3 | Molecular Weight | 195.23800 | |
Density | 1.12g/cm3 | Boiling Point | 130 °C | |
Molecular Formula | C9H9NO2S | Melting Point | 50 °C | |
MSDS | USA | Flash Point | 130-132°C/3mm |
Name | 1-isothiocyanato-3,5-dimethoxybenzene |
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Synonym | More Synonyms |
Density | 1.12g/cm3 |
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Boiling Point | 130 °C |
Melting Point | 50 °C |
Molecular Formula | C9H9NO2S |
Molecular Weight | 195.23800 |
Flash Point | 130-132°C/3mm |
Exact Mass | 195.03500 |
PSA | 62.91000 |
LogP | 2.43810 |
Vapour Pressure | 0.000197mmHg at 25°C |
Index of Refraction | 1.537 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under an inert atmosphere. 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# 104968-58-3: 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: Solid Color: colorless - pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 130 - 132 deg C @3mmHg Freezing/Melting Point: 50 - 52 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: C9H9NO2S Molecular Weight: 195 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Bases, oxidizing agents, reducing agents, amines. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 104968-58-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,5-Dimethoxyphenyl isothiocyanate - 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 SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 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. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 104968-58-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 104968-58-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 104968-58-3 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;R36/37/38 |
Safety Phrases | S26-S27-S38 |
RIDADR | 2811 |
Packaging Group | III |
Hazard Class | 8 |
HS Code | 2930909090 |
~% 3,5-dimethoxyph... CAS#:104968-58-3 |
Literature: Journal of the Chemical Society, , p. 3285,3299 |
~% 3,5-dimethoxyph... CAS#:104968-58-3 |
Literature: Journal of the Chemical Society, , p. 3285,3299 |
Precursor 3 | |
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DownStream 0 |
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% |
1-isothiocyanato-3,5-dimethoxy-benzene |
MFCD00041077 |
3,5-Dimethoxyphenyl isothiocyanate |
3,5-Dimethoxy-phenylisothiocyanat |
3,5-dimethoxybenzenisothiocyanate |
3,5-dimethoxyisothiocyanate |