Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메틸(2-)-2-부텐니트릴
메틸(2-)-2-부텐니트릴 · 2-메틸-2-버틸니트릴 · Ccris 6055 · 2-CYANO-2-BUTENE · Einecs 224-544-5 · 2-methylcrotononitrile · 2-methyl-crotononitril · 2-methyl-2-butenenitril
식별자 및 물리적 특성
| CAS No. | 4403-61-6 |
|---|---|
| 분자식 | C5H7N |
| 평균 분자량 | 81.12 g/mol |
| 단동위원소 질량 | 81.05784923 g/mol |
| SMILES | CC=C(C)C#N |
| InChIKey | IHXNSHZBFXGOJM-UHFFFAOYSA-N |
| PubChem CID | 29935 |
| EC No. | 224-544-5 |
| DTXSID | DTXSID0025577 |
| 현지명 | 메틸(2-)-2-부텐니트릴 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 23.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 102 |
| 밀도 | 0.817 at 65.3 °F (NTP, 1992) - Less dense than waterwill float0.810 g/mL at 20 °C(lit.) |
| 용해도 | less than 1 mg/mL at 72 °F (NTP, 1992) |
| 인화점 | less than 67 °F (NTP, 1992)-17 °C |
| 증기압 | 74.3 mmHg at 75 °F148.2 mmHg at 111 °F293.8 mmHg at 149 °F (NTP, 1992) |
| Physical Description | 2-methyl-2-butenenitrile is a clear amber liquid. (NTP, 1992) |
| 끓는 점 | 115-120 °C(lit.) |
| 굴절률 | n20/D 1.417 |
| 용해도 | 물에 약간 용해됨 |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| InChI | InChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3 |
| InChIKey | IHXNSHZBFXGOJM-UHFFFAOYSA-N |
| SMILES | C(#N)C(C)=CC |
| EPA | 2-Methyl-2-butenenitrile (4403-61-6) |
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P317, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 2-Butenenitrile, 2-methyl- |
| 운송 라벨(DOT) | Flammable Liquid Poison |
| 화재 위험 | This chemical is flammable. (NTP, 1992) |
| 건강 유해성 | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears). Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024) |
| 반응성 그룹 | NitrilesHydrocarbons, Aliphatic Unsaturated |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Nitriles, such as 2-METHYL-2-BUTENENITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acidsmixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids. |
| Air and Water Reactions | Highly flammable. This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Acute Tox. 3 (100%)Acute Tox. 4 (97.5%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it in an explosion-proof freezer. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992) |
| Isolation and Evacuation | Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | EM8312500 |
| 운송 번호(UN) | UN 3273 3/PG 2 |
| 관세 코드 | 2926.90.5050 |
| 위험 문구(R) | 11-20/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-23-36/37 |
| 포장분류 | I |
| 위험 등급 | 3.1 |
용도
일반 설명
Clear amber liquid.