Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
노르말부틸로니트릴
노르말부틸로니트릴 · 부탄니트릴 · 부티로나이트릴 · 뷰테인나이트릴 · 1-사이아노프로페인 · n-뷰테인나이트릴 · n-뷰티로나이트릴 · n-프로필 사이아나이드
식별자 및 물리적 특성
| CAS No. | 109-74-0 |
|---|---|
| 분자식 | C4H7N |
| 평균 분자량 | 69.11 g/mol |
| 단동위원소 질량 | 69.05784922 g/mol |
| SMILES | CCCC#N |
| InChIKey | KVNRLNFWIYMESJ-UHFFFAOYSA-N |
| PubChem CID | 8008 |
| ChEBI | CHEBI:51937 |
| EC No. | 203-700-6 |
| DTXSID | DTXSID1026823 |
| 현지명 | 노르말부틸로니트릴 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 23.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 47.9 |
| 물질 분류 | Nitrogen Compounds -> NitrilesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP(분배 계수) | log Kow = 0.530.5/0.6 |
| 냄새 | Sharp, suffocating odor. |
| 밀도 | 0.7936 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8091 @ 0 °C/4 °CDensity of saturated air: 1.07 @ 38.4 °C (air= 1)Relative density (water = 1): 0.80.796 @ 15°C0.810.794 g/mL at 25 °C(lit.) |
| Viscosity | 0.8 cPs @ 0 °C0.6 cPs @ 20 °C0.5 cPs @ 40 °C |
| Color/Form | Colorless liquid |
| 용해도 | 3 % at 77 °F (NIOSH, 2024)Miscible with alc, ether, dimethylformamideSol in benzeneIn water, 33,000 mg/l at 25 °C.Solubility in water, g/100ml at 25 °C: 3(77 °F): 3%물에 약간 용해됨알코올, 에테르 및 디메틸포름아미드에 용해됨 |
| 인화점 | 62 °F (USCG, 1999)17 °C76 (24 °C) °F (OPEN CUP) |
| 끓는 점 | 244 °F at 760 mmHg (USCG, 1999)117.5 °C @ 760 mm Hg116-118 °C117 °C @760 [mm Hg]115-117 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx and CN- /nitrogen oxides and cyanides/. |
| 녹는점 | -171 °F (USCG, 1999)-112 °C-112.6 °C-170 °F−112 °C(lit.) |
| 증기 밀도 | 2.4 (vs air) |
| 증기압 | 23 mm Hg ( 25 °C) |
| 굴절률 | n20/D 1.384(lit.) |
| 저장 조건 | Flammables area |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 폭발한계 | 1.6% (v/v) |
| 용해도 | 벤젠, 알코올, 에테르 및 디메틸포름아미드와 혼합 가능. 물에 약간 용해됩니다. |
| Merck | 14,1597 |
| BRN | 1361452 |
| 헨리 상수 | 1.8×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 20.7(21℃) |
| 안정성 | 안정적인. 타기 쉬운. 피해야 할 물질에는 강산, 강염기, 강산화제, 강환원제가 포함됩니다. |
| InChI | 1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 |
| InChIKey | KVNRLNFWIYMESJ-UHFFFAOYSA-N |
| SMILES | CCCC#N |
| LogP(분배 계수) | 0.401 at 30℃ |
| 표면장력 | 28.1mN/m at 20°C |
| EPA | Butanenitrile (109-74-0) |
화학적 성질
n-Butyronitrile has a sharp suffocating odor. Forms cyanide in the body. Butyronitrile [109-74-0], propyl cyanide, butanenitrile, CH3(CH2)2CN, is a colorless liquid slightly miscible with water, miscible with ethanol and diethyl ether. The physical properties are listed in Table 1. Butyronitrile is usually obtained by the catalytic gase-phase reaction of butanol or butyraldehyde with ammonia. Its major use is the manufacture of the poultry drug amprolium.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: ButanenitrileButanenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 25-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5838Butyronitrile: HSNO Approval: HSR002924 Approved with controlsThe 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) | Flammable Liquid Poison |
| 화재 위험 | Special Hazards of Combustion Products: Toxic cyanide fumes (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 17 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | FLAMMABLE, DANGEROUS FIRE RISK.Dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| 건강 유해성 | Dizziness, rapid respirations, headache, drowsiness, drop in blood pressure and pulse, delayed symptoms. May cause cyanosis (blue-grey coloring of skin and lips due to lack of oxygen) (USCG, 1999)· TOXICmay be fatal if inhaled, ingested or absorbed through skin. |
| 유해성 요약 | Experimental animals have convulsions and die with an oral LD50 of 50-100 mg/kgHazardous occupational exposures can occur by the inhalation or dermal routes[HSDB] See Acetonitrile. See NITRILES. |
| 운송 번호 및 가이드(DOT) |
용도
용도
Butyronitrile is used as a chemical intermediate.
일반 설명
A clear colorless liquid. Flash point 76°F. Less dense than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used in the manufacture of other chemicals.
제조 및 합성 방법
생산 방법
n-Butyronitrile is prepared from 1-butanol by controlled cyanation with NH3 at 300°C in the presence of Ni-Al203 or zinc phosphide catalysts.