Butyronitrile 丁腈

CAS 109-74-0 MFCD00001968

化学结构图

109-74-0
SMILES: CCCC#N

化学属性

Mol. FormulaC₄H₇N
Mol. Weight69.11
Density0.794 g/mL at 25 °C(lit.)
Refractive index1.3820 to 1.3860
Boiling Point115-117 °C(lit.)
Melting Point-112 °C(lit.)
Flash Point18°(64°F)
TSCAYes
Autoignition Point910 °F
Vapor Density2.4 (vs air)
Vapor Pressure23 mmHg ( 25 °C)
Solubility微溶于水,溶于醇、醚等多数有机溶剂。

别名和识别编码

Chemical NameButyronitrile
Synonym 1-CYANOPROPANE 1-Cyanopropane 1-Cyanopropane, butyronitrile 1-Cyanpropan 1-propanecarbonitrile BUTANENITRILE BUTANOIC ACID NITRILE BUTYRIC ACID NITRILE BUTYRONITRILE Butanenitrile Buttersäurenitril Buttersαurenitril Butyric acid nitrile Butyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} n-Butyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Ch
CAS Number109-74-0
EC Number203-700-6
Beilstein Registry Number1361452
MDL NumberMFCD00001968
PubChem Substance ID8008
Merck Number14,1597
Chemical Name Translation丁腈
Wiswesser Line NotationNC3
LabNetwork Molecule IDLN01740346
Reaxys-RN1361452
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
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分类

  • {SNA} A-B, Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Volatiles/ Semivolatiles
  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Merck 14 ,1597
  • Beil. 2 ,IV,806
  • Aldrich MSDS 1 , 337:B / Corp MSDS 1 (1), 656:C / FT-IR 1 (1), 837:C / FT-IR 2 (1), 1422:C / FT-NMR 1 (1), 1351:C / IR-Spectra (3), 500:C / IR-Spectra (2), 444:C / NMR-Reference 2 (1), 695:D / RegBook 1 (1), 987:D / Sax 6 , 607 / Structure Index 1 , 154:D:1 / Vapor Phase 3 , 795:C
  • 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/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwa

安全信息

GHS Symbol
WGK Germany1
Hazard Codes F,T T
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301+H311+H331
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSET8750000
Precautionary statements
  • P301+P310
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Signal word Danger
UN Number UN2411 2411 UN 2411 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
  • R10 Flammable 易燃
  • R11 Highly flammable 非常易燃
Safety Statements
  • 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);
  • S63
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S1/2 None 上锁保管并避免儿童触及;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Packing GroupII
Hazard Class3/6.1
Storage condition Flammables area
Restrict {} 剧毒化学品 危险品
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 27689 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NEZAAQ Nippon Eiseigaku Zasshi.  Japanese Journal of Hygiene.  (Nippon Eisei
   Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606,
   Japan)  V.1-    1946-  Volume(issue)/page/year: 39,423,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Vascular - regional or general arteriolar or venous dilation
   Lungs, Thorax, or Respiration - dyspnea
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,4873,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 249 ppm/1H
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   CTOXAO Clinical Toxicology.  (New York, NY)  V.1-18, 1968-81.  For publisher
   information, see JTCTDW.  Volume(issue)/page/year: 18,9

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 ppm/6H
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,365,1993

其他信息

  • 急性毒性:口服-大鼠 LD50: 50 毫克/公斤;口服-小鼠 LD50: 27.689 毫克/公斤
  • Hazard Note:Toxic
  • 爆炸物危险特性:与空气混合可爆
  • 职业标准:TWA 22 毫克/立方米
  • 类别:有毒物品
  • 灭火剂:泡沫
  • 外观性质:无色液体,有刺激性气味。
  • 蒸气密度:2.4 (vs air)
  • 用途二:有机合成原料、溶剂、医药中间体,还可用于其他精细化学品。
  • 可燃性危险特性:遇热, 明火, 氧化剂易燃; 高热分解放出氮氧化物, 氰化物气体
  • 方法一:由丁烯与氨氧化而得,或由丁醇与氨催化氧化而得。
  • MOL 文件:109-74-0.mol
  • MSDS 信息:丁腈(109-74-0).msds
  • 毒性分级:剧毒
  • 刺激数据:皮肤-兔子 395 毫克 轻度; 眼睛-兔子 500 毫克/24小时 轻度
  • Sigma Aldrich:109-74-0(sigmaaldrich)
  • 丁腈橡胶:丁腈橡胶是指由丁二烯与丙烯腈单体乳液聚合成的合成橡胶。1937年德国I.G.Farben公司首先研制成功。由于凝胶成分多,门尼粘度高,不易加工,称硬丁腈橡胶。20世纪50年代后期,采用氧化还原引发体系,聚合温度降为5~ 8℃,凝胶和门尼粘度下降,不经预塑炼即可混炼加工,称软丁腈橡胶。丁腈橡胶性能与丙烯腈含量有关,丙烯腈含量为15%~45%,以18%、26%、 40%丙烯腈含量的丁腈胶综合性能最好,分别称丁腈-18、丁腈-26、丁腈40,是用途最广、产量最多的三种丁腈胶。丙烯腈含量增加,胶料的耐热、耐矿物油性能提高,而低温性能降低。如丁腈 -40能耐温150℃、耐芳烃含量高的燃油,但脆性温度仅-26℃;丁腈-18胶耐温仅120℃,耐油性较差,但脆性温度为-52℃。丁腈橡胶的弹性和耐寒性不如天然和丁苯橡胶,耐候性较差,但耐热和耐矿油性较好,可长期在 120~150℃的矿油介质中工作,主要用于制造在石油基油料中工作的橡胶制品,如航空软油箱、输油耐压胶管及模压密封件等。 丁腈橡胶是一种使用最广泛的耐油性合成橡胶。淡黄色。相对密度0.91~0.986。根据丁腈橡胶的聚合温度,可分为高温 (25~50℃) 和低温 (-5℃) 两种。由于低温聚合时,分子排列比较规整,加工性能及硫化胶的物理机械性能较好,所以商品丁腈橡胶一般都是低温聚合的产品。丁腈橡胶的丙烯腈含量为15%~50%。随着丙烯腈含量的增加,耐油性、耐磨性和机械强度提高,但耐寒性、伸长率、弹性下降。主要用于制造各种耐油橡胶制品。
  • 蒸气压:23 mm Hg ( 25 °C)
  • 用途一:是有机合成及医药中间体的关键原料
  • 下游产品:偶氮二异丁腈 --> 正戊酸 --> 3-吲哚丁酸 --> 丁脒 --> 3,7-二氯-8-氯甲基喹啉 --> 2-羟基-4-甲硫基丁酸
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
  • 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 K2076001 丁腈(剧毒) 250ml 980元 2011/08/23 80027581 正丁腈(剧毒) 250ml 500元 2011/08/23 40006260 正丁腈(剧毒) 5ml 60元
  • 图谱信息:丁腈(109-74-0)红外图谱(IR2) 丁腈(109-74-0)红外图谱(IR1) 丁腈(109-74-0)质谱(MS) 丁腈(109-74-0)核磁图( 13 CNMR) 丁腈(109-74-0)核磁图( 1 HNMR) 丁腈(109-74-0)Raman光谱
  • Acros Organics:正丁腈 n-Butyronitrile, 99%(109-74-0)
  • Alfa Aesar:丁腈,99% Butyronitrile, 99%(109-74-0)

系列性分类


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