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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 29935作成日：2026年10月27日

2-メチル-2-ブテンニトリル

2-メチル-2-ブテンニトリル · 2-シアノ-2-ブテン · 1-メチル-1-プロペニルシアニド · 2,3-ジメチルアクリロニトリル · ２メチル２ブテンニトリル · 2-メチルブタ-2-エンニトリル · Ccris 6055 · 2-CYANO-2-BUTENE

https://huagongshe.com/ja/chemical/29935

2-メチル-2-ブテンニトリル の分子構造式

識別子と物理属性

CAS No.4403-61-6
分子式C5H7N
平均分子量81.12 g/mol
単同位体質量81.05784923 g/mol
SMILESCC=C(C)C#N
InChIKeyIHXNSHZBFXGOJM-UHFFFAOYSA-N
PubChem CID29935
EC No.224-544-5
DTXSIDDTXSID0025577
現地名2-メチル-2-ブテンニトリル

化学・物理的性質

XLogP1.2
極性表面積23.8
水素結合供与体数0
水素結合受容体数1
回転可能結合数0
重原子数6
形式電荷0
複雑度102
密度0.817 at 65.3 °F (NTP, 1992) - Less dense than waterwill float0.810 g/mL at 20 °C(lit.)
溶解度less than 1 mg/mL at 72 °F (NTP, 1992)Slightly soluble in water
引火点less than 67 °F (NTP, 1992)-17 °C
蒸気圧74.3 mmHg at 75 °F148.2 mmHg at 111 °F293.8 mmHg at 149 °F (NTP, 1992)
Physical Description2-methyl-2-butenenitrile is a clear amber liquid. (NTP, 1992)
沸点115-120 °C(lit.)
屈折率n20/D 1.417
外観・状態clear liquid
色Colorless to Light yellow
InChIInChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3
InChIKeyIHXNSHZBFXGOJM-UHFFFAOYSA-N
SMILESC(#N)C(C)=CC
CAS データベース4403-61-6
EPAの化学物質情報2-Methyl-2-butenenitrile (4403-61-6)

安全性と法規制

GHS 分類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.
規制情報Chemical: 2-Butenenitrile, 2-methyl-
輸送ラベル（DOT）Flammable Liquid Poison
火災危険This chemical is flammable. (NTP, 1992)
健康有害性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)
反応性グループNitrilesHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity ProfileNitriles, 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.

用途

一般的な説明

Clear amber liquid.

Air and Water ReactionsHighly flammable. This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)Acute Tox. 3 (100%)Acute Tox. 4 (97.5%)
消火Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
応急処置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)
非火災時の漏出対応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 EvacuationExcerpt 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)
水環境危害等級（WGK）3
RTECS 番号EM8312500
輸送番号（UN）UN 3273 3/PG 2
税関コード2926.90.5050
危険文句（R）11-20/22
消防法危-4-1-II
危険表示F,Xn
安全措置（S）16-23-36/37
危険等級3.1
包装等級I
毒劇物取締法劇物