Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-부틸이미다졸
1-부틸이미다졸 · 1-N-butylimidazole · SKL1559 · 1-Butyl- · 1-N-ButyL · 1-BUTYLIMIDAZOLE · N-BUTYL IMIDAZOLE · Butyl-N-imidazole
식별자 및 물리적 특성
| CAS No. | 4316-42-1 |
|---|---|
| 분자식 | C7H12N2 |
| 평균 분자량 | 124.18 g/mol |
| 단동위원소 질량 | 124.10004838 g/mol |
| SMILES | CCCCn1ccnc1 |
| InChIKey | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| PubChem CID | 61347 |
| ChEMBL | CHEMBL97667 |
| EC No. | 224-335-9 |
| DTXSID | DTXSID8073976 |
| 현지명 | 1-부틸이미다졸 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 17.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 73.3 |
| 물질 분류 | Nitrogen Compounds -> Imidazoles |
| Physical Description | N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.Colorless to light yellow liquid[CAMEO] Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| 끓는 점 | 114-116 °C12 mm Hg(lit.) |
| 밀도 | 0.945 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.480(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Refrigerator |
| 용해도 | 클로로포름, 메탄올에 용해됩니다. |
| pKa(산도 계수) | 7.09±0.10(Predicted) |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Light yellow to Light orange |
| 비중 | 0.948 |
| 폭발한계 | 2.7-15.7%(V) |
| BRN | 109499 |
| InChI | 1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3 |
| InChIKey | MCMFEZDRQOJKMN-UHFFFAOYSA-N |
| SMILES | CCCCn1ccnc1 |
| NIST | 1-Butylimidazole(4316-42-1) |
| EPA | 1-Butylimidazole (4316-42-1) |
화학적 성질
Clear Colorless Oil
안전 및 규제
| GHS 분류 | DangerH315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 건강 유해성 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 유해성 요약 | May cause irritationToxic by ingestion, inhalation, and skin absorption[CAMEO] An irritant that may cause serious eye injuryHighly toxic by inhalation[Alfa Aesar MSDS] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | N,N-BUTYL IMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| DOT Hazard Classification | N-n-Butyl imidazoleUN2690Div 6.1 Poisonous materials (49 eCFR § 173.132)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.2%) |
| 소화 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 응급 처치 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| Toxicity Data | LC50 (rat) = 110 mg/m3/4hr |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2690 |
| 관세 코드 | 29332990 |
| 위험 문구(R) | 37/38-41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-39 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 2 InhalationEye Dam. 1Skin Corr. 1B |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
1-Butylimidazole may be used in the synthesis of a heterocyclic mesomeric betaine. It was used in the synthesis of 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S).
일반 설명
A colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.