Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
헥사하이드로니트로벤젠
나이트로사이클로헥세인 · 헥사하이드로니트로벤젠 · 니트로싸이클로헥산 · NSC66277 · NSC 66277 · NSC-66277 · ai3-14828[qr] · nitro-cyclohexan
식별자 및 물리적 특성
| CAS No. | 1122-60-7 |
|---|---|
| 분자식 | C6H11NO2 |
| 평균 분자량 | 129.16 g/mol |
| 단동위원소 질량 | 129.07897859 g/mol |
| SMILES | O=[N+]([O-])C1CCCCC1 |
| InChIKey | NJNQUTDUIPVROZ-UHFFFAOYSA-N |
| PubChem CID | 14285 |
| ChEMBL | CHEMBL4590012 |
| ChEBI | CHEBI:74164 |
| EC No. | 214-354-0 |
| DTXSID | DTXSID6061529 |
| 현지명 | 헥사하이드로니트로벤젠 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 102 |
| 물질 분류 | Nitrogen Compounds -> Nitros, AliphaticFlammable agents - 2nd degree |
| SpringerMaterials Properties | Chemical shift |
| 밀도 | 1.061 at 68 °F (EPA, 1998) - Denser than waterwill sink1.0610 at 20 °C/4 °C1.0610 @ 20°C1.061 g/mL at 25 °C(lit.) |
| 용해도 | Sol in alcohol, ligroin알코올에 용해됨 |
| 끓는 점 | 401.9 °F at 768 mmHg (EPA, 1998)205.5 °C at 768 mm Hg205.5 °C @760 [mm Hg]205.5-206 °C768 mm Hg(lit.) |
| 녹는점 | -29 °F (EPA, 1998)Freezing point: -34 °C−34 °C(lit.) |
| 증기압 | 0.35 [mm Hg] @25 °C768 mm Hg ( 205 °C) |
| 굴절률 | Index of refraction: 1.4612 at 19 °Cn20/D 1.462(lit.) |
| Physical Description | Nitrocyclohexane is a colorless liquid. (EPA, 1998)[CAMEO] Pale yellow liquid[MSDSonline] |
| Other Experimental Properties | Cyclohexane/water partition coefficient -0.10 (log) |
| 증기 밀도 | 4.46 (vs air) |
| 인화점 | 166 °F |
| 저장 조건 | Storage temp. 2-8°C |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 8.44±0.20(Predicted) |
| 색상 | Light orange to Yellow to Green |
| 헨리 상수 | 2.4×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| EPA | Nitrocyclohexane (1122-60-7) |
화학적 성질
Nitrocyclohexane is a highly flammable, colorless liquid.
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | The 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.) |
| 운송 라벨(DOT) | Poison Inhalation Hazard |
| 화재 위험 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| 건강 유해성 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| 유해성 요약 | No reports of human poisoning cases foundCauses seizures and liver injury in animal studies[HSDB] At lethal concentrations, inhalation causes excitement, somnolence, muscle contractions, and fatty liver degeneration in miceCauses convulsions in rats after feeding lethal doses[RTECS] A strong oxidizing agent[CAMEO] Highly toxic by inhalationEffects in high-dose animal studies include convulsionsAn irritant[MSDSonline] |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Special Reports | USEPAChemical Profile: Nitrocyclohexane (1985). Chemical safety information sheet on nitrocyclohexane.Loefroth G et alProg Clin Biol Res 209B: 149-55 (1986). Structure-activity relationship of nitroalkane-induced mutagenicity in the Ames Salmonella assay. |
| Reactivity Alerts | Strong Oxidizing Agent |
| Reactivity Profile | Nitroalkanes, such as NITROCYCLOHEXANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames. |
용도
일반 설명
Colorless liquid.