4-Bromo-1H-indole-3-carboxylic acid structure
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Common Name | 4-Bromo-1H-indole-3-carboxylic acid | ||
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CAS Number | 110811-31-9 | Molecular Weight | 240.053 | |
Density | 1.8±0.1 g/cm3 | Boiling Point | 470.9±25.0 °C at 760 mmHg | |
Molecular Formula | C9H6BrNO2 | Melting Point | 137-138ºC | |
MSDS | N/A | Flash Point | 238.6±23.2 °C |
Name | 4-bromo-1H-indole-3-carboxylic acid |
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Synonym | More Synonyms |
Density | 1.8±0.1 g/cm3 |
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Boiling Point | 470.9±25.0 °C at 760 mmHg |
Melting Point | 137-138ºC |
Molecular Formula | C9H6BrNO2 |
Molecular Weight | 240.053 |
Flash Point | 238.6±23.2 °C |
Exact Mass | 238.958176 |
PSA | 53.09000 |
LogP | 2.76 |
Vapour Pressure | 0.0±1.2 mmHg at 25°C |
Index of Refraction | 1.749 |
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. 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 110811-31-9: 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: White Odor: Characteristic odour pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 154 - 156 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: C14H14BrNO4 Molecular Weight: 340.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 110811-31-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-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: 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 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# 110811-31-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 110811-31-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 110811-31-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xn |
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HS Code | 2933990090 |
~60% 4-Bromo-1H-indo... CAS#:110811-31-9 |
Literature: Urwyler, Stephan; Floersheim, Philipp; Roy, Bernard L.; Koller, Manuel Journal of Medicinal Chemistry, 2009 , vol. 52, # 16 p. 5093 - 5107 |
~85% 4-Bromo-1H-indo... CAS#:110811-31-9 |
Literature: Yamada, Fumio; Somei, Masanori Heterocycles, 1987 , vol. 26, # 5 p. 1173 - 1176 |
Precursor 2 | |
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DownStream 1 | |
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% |
3-Carboxy-4-bromo-1H-indole |
4-Bromo-1H-indole-3-carboxylic acid |
1H-Indole-3-carboxylicacid,4-bromo |
4-bromoindole-3-carboxylic acid |
4-bromo1H-indole-3-carboxylic acid |
1H-Indole-3-carboxylic acid, 4-bromo- |
4-bromo-3-indolecarboxylic acid |