Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-브로모펜탄
1-브로모펜탄 · 1-브로모펜테인 · PENTYL BROMIDE · N-AMYL BROMIDE · 1-Pentyl bromide · n-C5H11Br · AMYL BROMIDE · 1-bromo-pentan
식별자 및 물리적 특성
| CAS No. | 110-53-2 |
|---|---|
| 분자식 | C5H11Br |
| 평균 분자량 | 151.04 g/mol |
| 단동위원소 질량 | 150.00441245 g/mol |
| SMILES | CCCCCBr |
| InChIKey | YZWKKMVJZFACSU-UHFFFAOYSA-N |
| PubChem CID | 8057 |
| ChEMBL | CHEMBL155850 |
| EC No. | 203-776-0 |
| DTXSID | DTXSID3049203 |
| 현지명 | 1-브로모펜탄 |
화학 및 물리적 성질
| XLogP | 3.4 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 19.9 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 3.32 |
| 증기압 | 12.6 [mmHg] |
| Physical Description | Liquid[Merck Index] Clear, light yellow liquid[Aldrich MSDS] |
| 녹는점 | −95 °C(lit.) |
| 끓는 점 | 130 °C(lit.) |
| 밀도 | 1.218 g/mL at 25 °C(lit.) |
| 증기 밀도 | >1 (vs air) |
| 굴절률 | n20/D 1.444(lit.) |
| 인화점 | 88 °F |
| 저장 조건 | Flammables area |
| 용해도 | H2O: 불용성 |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~연황색 |
| 용해도 | 실질적으로 불용성 |
| Merck | 14,602 |
| BRN | 1730981 |
| 헨리 상수 | 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 6.3(10℃) |
| 안정성 | 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3 |
| InChIKey | YZWKKMVJZFACSU-UHFFFAOYSA-N |
| SMILES | CCCCCBr |
| NIST | Pentane, 1-bromo-(110-53-2) |
| EPA | Pentane, 1-bromo- (110-53-2) |
화학적 성질
liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Pentane, 1-bromo-Status: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/101951-Bromopentane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 유해성 요약 | Causes other liver changes and effects on transaminases in oral toxic-dose studies of mice[RTECS] A skin, respiratory tract, and strong eye irritant[Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 47,600 mg/m3/2hr |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | RZ9770000 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 독성 | LD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76 |
| 관세 코드 | 29033036 |
| 위험 문구(R) | 10-36/37/38-51/53-22 |
| 위험 표시 | Xi,F,N,Xn |
용도
용도
1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.
일반 설명
1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.