Butyl cyanoacetate 氰乙酸正丁酯

CAS 5459-58-5 MFCD00001941

化学结构图

5459-58-5
SMILES: CCCCOC(=O)CC#N

化学属性

Mol. FormulaC7H11NO2
Mol. Weight141.17
Density0.993
Refractive index1.4240 to 1.4280
Boiling Point115
Flash Point112°C(lit.)
TSCAYes
Solubility不溶

别名和识别编码

Chemical NameButyl cyanoacetate
CAS Number5459-58-5
EC Number226-730-1
MDL NumberMFCD00001941
PubChem Substance ID79571
Reaxys-RN1761735
Synonym CYANOACETIC ACID N-BUTYL ESTER n-Butyl cyanoacetate butyl cyanoacetate BUTYL CYANOACETATE 氰乙酸丁酯 Cyanoacetic acid n-butyl ester
Chemical Name Translation氰乙酸正丁酯
Beilstein Registry Number1761735
LabNetwork Molecule IDLN00116064
InChIInChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Cyanides/Nitriles, Esters, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Cyanides/Nitriles, Esters, Nitrogen Compounds, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beil. 2 ,I,255
  • Corp MSDS 1 (1), 625:A / FT-NMR 1 (1), 1390:C / NMR-Reference 2 (1), 718:A / RegBook 1 (1), 1013:C / Structure Index 1 , 158:A:2
  • Fieser 1 ,87
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H312+H332
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAG3692500
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes Xn
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Safety Statements
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • 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;
UN Number UN 3276 6.1/PG 3 3276
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6270 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 35(2),42,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4180 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 35(2),42,1991

其他信息

  • 外观性质:无色或浅黄色液体。
  • TCI Shanghai:氰乙酸丁酯 Butyl Cyanoacetate,>;98.0%(GC)(5459-58-5)
  • 氰乙酸正丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0440 氰乙酸丁酯 Butyl Cyanoacetate 500G 2270元 2014/06/02 C0440 氰乙酸丁酯 Butyl Cyanoacetate 25G 266元 2010/06/21 248015000 氰乙酸正丁酯 n-Butyl cyanoacetate 99+% 500 GR 2541元
  • Alfa Aesar:正丁基氰乙酸酯,99+% n-Butyl cyanoacetate, 99+%(5459-58-5)
  • 下游产品:恩布酯
  • 用途一:用作化工中间体
  • Sigma Aldrich:5459-58-5(sigmaaldrich)
  • 上游原料:正丁醇 --> 氯乙酸钠
  • MSDS 信息:氰乙酸丁酯(5459-58-5).msds
  • Acros Organics:氰基乙酸正丁酯 n-Butyl cyanoacetate, 99+%(5459-58-5)
  • MOL 文件:5459-58-5.mol
  • 方法一:由氯乙酸钠经氰化、酯化而得。
  • 用途二:医药中间体。

系列性分类


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