1-Isopropyl-1H-benzotriazole-5-carboxylic acid structure
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Common Name | 1-Isopropyl-1H-benzotriazole-5-carboxylic acid | ||
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CAS Number | 306935-41-1 | Molecular Weight | 205.213 | |
Density | 1.4±0.1 g/cm3 | Boiling Point | 413.9±18.0 °C at 760 mmHg | |
Molecular Formula | C10H11N3O2 | Melting Point | 229-230ºC | |
MSDS | Chinese USA | Flash Point | 204.1±21.2 °C |
Use of 1-Isopropyl-1H-benzotriazole-5-carboxylic acidGPR109 receptor agonist-1 (Compound 3a) is a highly selective agonist of the human orphan G-protein-coupled receptor GPR109b, with the pEC50 of 6.4. GPR109 receptor agonist-1 can be used for the research of cardio-metabolic diseases[1]. |
Name | 1-propan-2-ylbenzotriazole-5-carboxylic acid |
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Synonym | More Synonyms |
Description | GPR109 receptor agonist-1 (Compound 3a) is a highly selective agonist of the human orphan G-protein-coupled receptor GPR109b, with the pEC50 of 6.4. GPR109 receptor agonist-1 can be used for the research of cardio-metabolic diseases[1]. |
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Related Catalog | |
Target |
pEC50: 6.40 ± 0.36 (GPR109b)[1] |
References |
Density | 1.4±0.1 g/cm3 |
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Boiling Point | 413.9±18.0 °C at 760 mmHg |
Melting Point | 229-230ºC |
Molecular Formula | C10H11N3O2 |
Molecular Weight | 205.213 |
Flash Point | 204.1±21.2 °C |
Exact Mass | 205.085129 |
PSA | 68.01000 |
LogP | 2.05 |
Vapour Pressure | 0.0±1.0 mmHg at 25°C |
Index of Refraction | 1.655 |
Storage condition | Store at RT |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Treat symptomatically and supportively. 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: 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. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 306935-41-1: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 229 - 230 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: C10H11N3O2 Molecular Weight: 205 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 306935-41-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Isopropyl-1H-1,2,3-benzotriazole-5-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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 306935-41-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 306935-41-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 306935-41-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi |
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Risk Phrases | 36/37/38 |
Safety Phrases | 26-36/37/39 |
HS Code | 2933990090 |
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-Isopropyl-1H-benzotriazole-5-carb; oxylic acid |
MFCD01570664 |
1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(1-methylethyl)- |
1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid |
1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID |
1-Isopropyl-1H-benzotriazole-5-carboxylic acid |
1-Isopropylbenzotriazole-5-carboxylic acid |
FSLLRY-NH2 |
1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid |