2-butylimidazole-4-aldehyde
2-butylimidazole-4-aldehyde structure
|
Common Name | 2-butylimidazole-4-aldehyde | ||
|---|---|---|---|---|
| CAS Number | 68282-49-5 | Molecular Weight | 152.194 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 359.1±15.0 °C at 760 mmHg | |
| Molecular Formula | C8H12N2O | Melting Point | 118-119ºC | |
| MSDS | USA | Flash Point | 174.8±26.8 °C | |
Summary: 2-Butyl-1H-imidazole-4-carbaldehyde (Chinese name: 2-丁基-1H-咪唑-4-甲醛，CAS number: 68282-49-5), molecular formula C8H12N2O, molecular weight 152.194, appears as a white solid. Melting point 118-119℃, boiling point 359.1±15.0 °C, density 1.1±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Butyl-1H-imidazole-4-carbaldehyde |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 359.1±15.0 °C at 760 mmHg |
| Melting Point | 118-119ºC |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.194 |
| Flash Point | 174.8±26.8 °C |
| Exact Mass | 152.094955 |
| PSA | 45.75000 |
| LogP | 1.59 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | PTHGVOCFAZSNNA-UHFFFAOYSA-N |
| SMILES | CCCCc1ncc(C=O)[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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# 68282-49-5: 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 117 - 120 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: C8H12N2O Molecular Weight: 152 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 68282-49-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Butyl-1H-imidazole-4-carbaldehyde - 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# 68282-49-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 68282-49-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 68282-49-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-37/39 |
| HS Code | 2933290090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~99%
2-butylimidazol... CAS#:68282-49-5 |
| Literature: Guram, Anil; Hagemeyer, Alfred; Lugmair, Claus G.; Turner, Howard W.; Volpe Jr., Anthony F.; Weinberg, W. Henry; Yaccato, Karin Advanced Synthesis and Catalysis, 2004 , vol. 346, # 2-3 p. 215 - 230 |
|
~72%
2-butylimidazol... CAS#:68282-49-5 |
| Literature: DISHMAN PHARMACEUTICALS AND CHEMICALS LTD; Henk Plum Patent: US2008/200690 A1, 2008 ; Location in patent: Page/Page column 4-5 ; |
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Detail
Learn More
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| Literature: Lonza AG Patent: US6040457 A1, 2000 ; |
|
~%
2-butylimidazol... CAS#:68282-49-5 |
| Literature: Journal of Organic Chemistry, , vol. 62, # 24 p. 8449 - 8454 |
|
~%
2-butylimidazol... CAS#:68282-49-5 |
| Literature: Journal of Organic Chemistry, , vol. 62, # 24 p. 8449 - 8454 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 3 | |
CAS#:139742-78-2![methyl 4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoate structure](https://image.chemsrc.com/caspic/298/133040-03-6.png)
CAS#:133040-03-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933290090 |
|---|---|
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Butyl-1H-imidazole-5-carbaldehyde |
| MFCD01075030 |
| 2-Butyl-1H-imidazole-4-carbaldehyde |
| 2-butyl-5-imidazolyl formaldehyde |
| 2-butylimidazole-4-aldehyde |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: Melting point of 2-Butyl-1H-imidazole-4-carbaldehyde is 118-119ºC. |
| Q: What English synonyms does 2-Butyl-1H-imidazole-4-carbaldehyde have? |
| A: English synonyms of 2-Butyl-1H-imidazole-4-carbaldehyde: 2-Butyl-1H-imidazole-5-carbaldehyde, MFCD01075030, 2-Butyl-1H-imidazole-4-carbaldehyde, 2-butyl-5-imidazolyl formaldehyde, 2-butylimidazole-4-aldehyde. |
| Q: What is the English name of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: The English name of 2-Butyl-1H-imidazole-4-carbaldehyde is 2-Butyl-1H-imidazole-4-carbaldehyde. |
| Q: What is the safety information for 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: Safety information for 2-Butyl-1H-imidazole-4-carbaldehyde: 26-37/39. |
| Q: What is the polar surface area (PSA) of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: Polar surface area (PSA) of 2-Butyl-1H-imidazole-4-carbaldehyde is 45.75000. |
| Q: What are the upstream materials of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: Related upstream materials(CAS) of 2-Butyl-1H-imidazole-4-carbaldehyde: 68283-19-2;83857-96-9;7440-69-9;7440-44-0;108-10-1;7440-06-4;50790-93-7;110-59-8. |
| Q: What is the SMILES notation of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: SMILES notation of 2-Butyl-1H-imidazole-4-carbaldehyde is CCCCc1ncc(C=O)[nH]1. |
| Q: What is the boiling point of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: Boiling point of 2-Butyl-1H-imidazole-4-carbaldehyde is 359.1±15.0 °C at 760 mmHg. |
| Q: What is the LogP of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: LogP of 2-Butyl-1H-imidazole-4-carbaldehyde is 1.59. |
| Q: What is the InChIKey of 2-Butyl-1H-imidazole-4-carbaldehyde? |
| A: InChIKey of 2-Butyl-1H-imidazole-4-carbaldehyde is PTHGVOCFAZSNNA-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |