2-メチル-3-ブテンニトリル

2-Methyl-3-butenenitrile

HCID 27909CAS 16529-56-9

基本情報

標準SMILES
C=CC(C)C#N
InChIKey
WBAXCOMEMKANRN-UHFFFAOYSA-N
分子式
C5H7N
平均分子量
81.12 g/mol
単同位体質量
81.05784923

名称と識別子

優先名称
2-Methyl-3-butenenitrile
IUPAC
2-methylbut-3-enenitrile
現地名
2-メチル-3-ブテンニトリル
英語名
2-Methyl-3-butenenitrile
分子式
C5H7N
分子量
81.12

名称と別名

2-METHYL-3-BUTENENITRILE16529-56-93-Butenenitrile, 2-methyl-3-Cyanobut-1-eneCCRIS 6056DTXSID50255782-Methyl-3-butenonitrileEINECS 240-596-15UB332ATH2AI3-30534DTXCID805578EC 240-596-1
名称をさらに表示
2-メチル-3-ブテンニトリル3-シアノ-1-ブテン1-メチル-2-プロペニルシアニド2メチル3ブテンニトリル2-メチルブタ-3-エンニトリル2-methyl-3-butenenitrilButenenitrile, 2-methyl-2-Methyl-3-butenenitrile>
RefChem:475363240-596-12-methylbut-3-enenitrile3-Cyano-1-butene1-Methyl-2-propenyl CyanideMFCD000426343-Butenonitrile, 2-methyl-2-methyl-3-butene-nitrile

データベース識別子

CAS
16529-56-9
PubChem CID
27909
DTXSID
DTXSID5025578
UNII
5UB332ATH2
EC Number
240-596-1
Nikkaji
J102.107I

物性

構造計算による物性

XLogP
1.3
極性表面積
23.8 Ų
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
1
重原子数
6

実験および物理化学的性質

Density0.813 at 69.1 °F (NTP, 1992) - Less dense than water; will float
Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Flash Pointless than 71 °F (NTP, 1992)
Vapor Pressure29.5 mmHg at 72 °F ; 59.7 mmHg at 103.1 °F; 180.2 mmHg at 155.3 °F (NTP, 1992)
Physical Description2-methyl-3-butenenitrile is a clear yellow liquid. (NTP, 1992)

物理化学的性質

沸点
124 °C · 124 °C
比重(密度)
0 · 0,82 g/cm3
屈折率
1.407 to · 1.4070 to 1.4110
闪点
15 °C · 15°C
水溶解度
Slightly soluble in water
外見
clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (95.5%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (11.4%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (11.4%): Toxic in contact with skin [Danger Acute toxicity, dermal];H332 (88.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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.

危険有害性情報

Regulatory Information · 2 件

3-Butenenitrile, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Butenenitrile, 2-methyl- 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: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1977

DOT LabelFlammable Liquid Poison
Fire HazardsThis chemical is flammable. (NTP, 1992)
Health Hazards · 1 件

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;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)

Reactive GroupNitriles;Hydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable

安全と保護具

Fire FightingFires involving this material can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 area; take 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 used; if 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)

Nonfire Spill Response · 1 件

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. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 · 1 件

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 directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

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)

法規制情報

Regulatory Information · 2 件

3-Butenenitrile, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Butenenitrile, 2-methyl- 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: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1977

安全データ

tsca
TSCA listed
ridadr
3275
毒性
rat,LDLo,oral,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEAGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS,National Technical Information Service. Vol. OTS0571510,
hs_code
2926.90.5050
risk_code
11-20/21/22
消防法
危-4-1-II

化学と産業

用途と製造

U.S. Production2023: <50,000 lb;2022: 50,000 - <250,000 lb;2021: <50,000 lb;2020: 50,000 - <250,000 lb
General Manufacturing Information3-Butenenitrile, 2-methyl-: ACTIVE

応用分野

一般的な説明Clear yellow liquid.

上流・下流製品情報

サプライヤー49 社

山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

関連反応

5 件

関連ノート

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