3,4-(Methylenedioxy)Benzyl Isothiocyanate structure
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Common Name | 3,4-(Methylenedioxy)Benzyl Isothiocyanate | ||
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CAS Number | 4430-47-1 | Molecular Weight | 193.22200 | |
Density | 1.32 | Boiling Point | 139-140ºC (1 torr) | |
Molecular Formula | C9H7NO2S | Melting Point | N/A | |
MSDS | N/A | Flash Point | 147.6ºC |
Name | 3,4-(Methylenedioxy)Benzyl Isothiocyanate |
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Synonym | More Synonyms |
Density | 1.32 |
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Boiling Point | 139-140ºC (1 torr) |
Molecular Formula | C9H7NO2S |
Molecular Weight | 193.22200 |
Flash Point | 147.6ºC |
Exact Mass | 193.02000 |
PSA | 62.91000 |
LogP | 2.01810 |
Index of Refraction | 1.615 |
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. 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 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: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. 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# 4430-47-1: 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: 139 - 140 deg C @1mmHg 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: 1.32 Molecular Formula: C9H7NO2S Molecular Weight: 193.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, moisture. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4430-47-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1,3-Benzodioxol-5-ylmethyl isothiocyanate, 95%+ - 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. 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# 4430-47-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4430-47-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4430-47-1 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-S36/37/39 |
RIDADR | UN 2810 |
Packaging Group | II |
Hazard Class | 6.1 |
HS Code | 2932999099 |
~65% 3,4-(Methylened... CAS#:4430-47-1 |
Literature: Jamir, Latonglila; Alimenla; Kumar, Anil; Sinha, Dipak; Sinha, Upasana B. Synthetic Communications, 2011 , vol. 41, # 1 p. 147 - 155 |
~66% 3,4-(Methylened... CAS#:4430-47-1 |
Literature: Cao, Sheng-Li; Xu, Hong; Wang, Yao; Liao, Ji; Zhang, Jing-Jing; Li, Zhong-Feng; Guo, Yan-Wen; Li, Xiao-Rong; Cui, Xue-Mei; Xu, Xingzhi Medicinal Chemistry, 2012 , vol. 8, # 2 p. 163 - 173 |
~% 3,4-(Methylened... CAS#:4430-47-1 |
Literature: Jamir, Latonglila; Alimenla; Kumar, Anil; Sinha, Dipak; Sinha, Upasana B. Synthetic Communications, 2011 , vol. 41, # 1 p. 147 - 155 |
Precursor 2 | |
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DownStream 0 |
HS Code | 2932999099 |
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Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
5-(isothiocyanatomethyl)-1,3-benzodioxole |
MFCD00041217 |