2-Methylpropanenitrile 异丁腈

CAS 78-82-0 MFCD00001873

化学结构图

78-82-0
SMILES: CC(C)C#N

化学属性

Mol. FormulaC4H7N
Mol. Weight69.11
Refractive index1.3720 to 1.3750
Boiling Point108°C
Density0.770 g/mL at 20 °C(lit.)
Melting Point-72 °C(lit.)
Flash Point8 ºC
TSCAYes
Autoignition Point899 °F
Vapor Density2.38 (vs air)
Vapor Pressure100 mmHg ( 54.4 °C)
Solubility35 G/L (20 ºC)
pH:A

别名和识别编码

Chemical Name2-Methylpropanenitrile
Synonym 1-Cyano-1-methylethane 2-Cyanopropane 2-METHYLPROPANENITRILE 2-METHYLPROPIONITRILE 2-Methylpropanenitrile 2-Methylpropannitril 2-Methylpropionitrile 2-Methylpropionitrile; Isopropyl cyanide 2-methyl-propanenitril 2-methyl-propanoicacinitrile 2-methylpropanenitrile 2-甲基丙腈 2-甲基丙腈 异丙基氰 氰化异丙烷 Dimethylacetonitrile IPG干胶条 ISOBUTYRONITRILE ISOPROPYL CYANIDE ISOPROPYL CYNAIDE Isobutanenitrile Isobuttersäurenitril Isobuttersαurenitril Isobutyronitril Isopropyl cyanide Isopropyl nitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number78-82-0
PubChem Substance ID24878313
EC Number201-147-5
Beilstein Registry Number1340512
MDL NumberMFCD00001873
Merck Number14,5156
Chemical Name Translation异丁腈
Wiswesser Line NotationNCY1&1
LabNetwork Molecule IDLN00193952
Reaxys-RN1340512
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分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 有机磷类杀虫剂
  • {uni_hamburg} no charge; 1fragment
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Merck 14 ,5156
  • Beil. 2 ,IV,853
  • Aldrich MSDS 1 , 1112:C / Corp MSDS 1 (1), 2022:A / FT-IR 1 (1), 838:B / FT-IR 2 (1), 1422:D / FT-NMR 1 (1), 1352:A / IR-Spectra (3), 500:E / IR-Spectra (2), 444:E / NMR-Reference 2 (1), 696:A / RegBook 1 (1), 987:E / Sax 6 , 1639 / Sigma FT-IR 1 (2), 665:D / Structure Index 1 , 154:A:2 / Vapor Phase 3 , 796:B
  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are

安全信息

GHS Symbol
WGK Germany3
Hazard Codes F;T F,T
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H300 Fatal if swallowed 吞食致命
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSTZ4900000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
Signal word Danger
UN Number UN2284 2284 UN 2284 3/PG 2
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R11 Highly flammable 非常易燃
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S4 Keep away from living quarters 远离生活区;
Packing GroupII
Hazard Class3/6.1
Storage condition +4°C 4℃ Flammables area
Restrict {} 剧毒化学品 危险品
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton,
   G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82.
   Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985.
   Volume(issue)/page/year: 2C,4874,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle weakness
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton,
   G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82.
   Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985.
   Volume(issue)/page/year: 2C,4874,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 14 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavior

其他信息

  • MSDS 信息:异丁腈(78-82-0).msds
  • 下游产品:异丁酸 --> L-缬氨酸 --> 二嗪农 --> 杀虫菊酯 --> 2-异丙基-6-甲基-4-吡啶醇 --> 异戊酸乙酯 --> 2-甲基丙胺酰亚胺盐酸盐 --> 草净津
  • 异丁腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 40006360 异丁腈(剧毒) 5ml 150元 2010/06/21 122530010 异丁腈 Isobutyronitrile 99% 1 LT 464元
  • 用途二:异丁腈是一种有机合成中间体,在农药上主要用于合成有机磷杀虫剂二嗪磷的中间体2-异丙基-4-甲基-6-羟基嘧啶。
  • 可燃性危险特性:可燃; 燃烧释放有毒氮氧化物烟雾
  • {Chemicalb
  • 刺激数据:皮肤-兔子 380 毫克 轻度
  • 类别:有毒物品
  • 毒性分级:剧毒
  • Hazard Note:Highly Flammable/Toxic
  • 急性毒性:口服-大鼠LD50: 50 毫克/公斤;口服-小鼠LD50: 25 毫克/公斤
  • 用途一:用作农药二嗪磷(地亚农、二嗪农)的关键原料,也用作医药中间体
  • Sigma Aldrich:78-82-0(sigmaaldrich)
  • 用途三:有机合成中间体,主要用于有机磷杀虫剂二嗪农的中间体--异丁脒的生产。也用于生产丙烯酸树脂的添加剂。
  • 蒸气压:100 mm Hg ( 54.4 °C)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 灭火剂:干粉、泡沫、二氧化碳、砂土。(禁用酸碱灭火剂)。
  • 外观性质:无色液体,有恶臭。
  • 上游原料:异丁烯 --> 异丁醇 --> 异丁醛 --> 硫酸锌 --> 氢氰酸 --> 异丁胺 --> 异丁酰胺
  • 图谱信息:异丁腈(78-82-0)质谱(MS) 异丁腈(78-82-0)Raman光谱 异丁腈(78-82-0)红外图谱(IR2) 异丁腈(78-82-0)红外图谱(IR1) 异丁腈(78-82-0)核磁图( 1 HNMR) 异丁腈(78-82-0)核磁图( 13 CNMR)
  • MOL 文件:78-82-0.mol
  • 方法一:异丁腈的合成方法较多,国内采用异丁醇氨化法。(CH 3 ) 2 CHCH 2 OH+NH 3 [催化剂]→(CH 3 ) 2 CHCN+H 2 O+2H 2 采用固定床管式反应器,异丁醇与氨在氧化锌催化剂(氧化锌∶黏土=75∶25)存在下反应,反应温度为410~450℃,氨与异丁醇摩尔比为2.5∶1。反应后经水冷、冰盐水冷却、异丁醇和水两步吸收、氨解析等步骤得到异丁腈。此法工艺流程短,设备简单,收率高,三废处理比较容易。 除此之外,异丁腈的制备方法还有异丁胺催化脱氢法、异丁酰胺加热催化脱水法、丙酮氰化法、丙烯氰化法、异丁烯氨氧化法、异丁醛氨氰化法等。
  • 蒸气密度:2.38 (vs air)
  • Acros Organics:异丁腈 Isobutyronitrile,99%(78-82-0)
  • 方法二:以异丁醇和氨为原料可合成异丁腈。将异丁醇与氨以1:2.5配比在氧化锌催化剂存在下,在410-450℃温度和常压下,于固定床管式反应器中进行合成,腈化后经水冷、冰盐水冷却、异丁醇和水两步吸收、氨解析等过程制得。异丁醇转化率接近100%,选择性90%以上,反应收率90%以上。催化剂组成为氧化锌与粘土,其配比为75:25。催化剂使用寿命1000h,经空气活化后还可以继续使用。此法工艺流程短,设备简单,收率高,三废处理比较容易,是目前异丁腈工业生产的主要方法。还有多种制法:异丁胺在硫酸锌催化下脱氢;丙酮与氢氰酸反应得氰醇,再经脱水,加氢反应;丙烯与氢氰反应;异丁醛与氨反应等等,都能制取异丁腈。
  • Alfa Aesar:异丁腈,99% Isobutyronitrile, 99%(78-82-0)

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