1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID structure
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Common Name | 1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID | ||
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CAS Number | 54698-60-1 | Molecular Weight | 217.22400 | |
Density | 1.3 g/cm3 | Boiling Point | 455ºC at 760 mmHg | |
Molecular Formula | C11H11N3O2 | Melting Point | 170ºC | |
MSDS | N/A | Flash Point | 228.9ºC |
Name | 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
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Synonym | More Synonyms |
Density | 1.3 g/cm3 |
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Boiling Point | 455ºC at 760 mmHg |
Melting Point | 170ºC |
Molecular Formula | C11H11N3O2 |
Molecular Weight | 217.22400 |
Flash Point | 228.9ºC |
Exact Mass | 217.08500 |
PSA | 68.01000 |
LogP | 1.33300 |
Index of Refraction | 1.636 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 11 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. 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. Exposure to heat may promote violent decomposition. Flammable solid. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. 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. Flammables-area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 54698-60-1: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 169 - 170 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: C11H11N3O2 Molecular Weight: 217.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures, incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, amines. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 54698-60-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-5-methyl-1H-[1,2,3-]triazole-4-carboxylic acid - 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: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.* Hazard Class: 4.1 (6.1) UN Number: 2926 Packing Group: III IMO Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. Hazard Class: 4.1 (6.1) UN Number: 2926 Packing Group: III RID/ADR Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. Hazard Class: 4.1 (6.1) UN Number: 2926 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: F Risk Phrases: R 11 Highly flammable. 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 16 Keep away from sources of ignition - No smoking. S 22 Do not breathe dust. 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# 54698-60-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 54698-60-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 54698-60-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
HS Code | 2933990090 |
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~68% 1-BENZYL-5-METH... CAS#:54698-60-1 |
Literature: Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460 |
~% 1-BENZYL-5-METH... CAS#:54698-60-1 |
Literature: European journal of medicinal chemistry, , vol. 38, # 11-12 p. 983 - 990 |
HS Code | 2933990090 |
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Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
1-benzyl-5-methyltriazole-4-carboxylic acid |