Fumaronitrile 反丁烯二腈

CAS 764-42-1 MFCD00001928

化学结构图

764-42-1
SMILES: N#C/C=C/C#N

化学属性

Mol. FormulaC4H2N2
Mol. Weight78
Boiling Point186
Melting Point93-95
Density0.94
TSCAYes
Flash Point186°C
Appearance 白色针状结晶。熔点96℃,沸点186℃。溶于苯、乙醇、乙醚。易升华。

别名和识别编码

Chemical NameFumaronitrile
Synonym fumaric dinitrile trans-1,2-Dicyanethylen fumaric acid dinitrile dinitrilofumarate trans-Butenedinitrile 2-Butenedinitrile, (E)- trans-2-Butenedinitrile 1,2-Dicyanotehylene 富马酸腈, 98+% 反式-1,2-二氰基乙烯 trans-1,2-Dicyanoethene fumaronitrile 反丁烯二腈 but-2-enedinitrile But-2-enedinitrile Fumaric dinitrile Fumarsäuredinitril Fumarsaeuredinitril Fumarodinitrile (E)-CH(CN)CH(CN) trans-1,2-Dicyanoethene FUMARIC ACID DINITRILE trans-1,2-Dicyanoethylene trans-Dicyanoethylene {Chemicalboo 富马腈/丁烯二腈 trans-2-Butenedinitrile
CAS Number764-42-1
PubChem Substance ID87569874
EC Number212-122-3
Beilstein Registry Number969245
MDL NumberMFCD00001928
Reaxys-RN969245
Chemical Name Translation反丁烯二腈
Wiswesser Line NotationNC1U1CN
InChIKeyKYPOHTVBFVELTG-OWOJBTEDSA-N
LabNetwork Molecule IDLN00238048
InChIInChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, F, FM - FZ, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Alphabetic, Analytical Standards, Analytical/Chromatography, Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, F, FM -

相关文献及参考

  • Beil. 2 ,IV,2219
  • Aldrich MSDS 1 , 981:B / Corp MSDS 1 (1), 1750:A / FT-IR 1 (1), 844:A / FT-IR 2 (1), 1432:A / FT-NMR 1 (1), 1360:B / IR-Spectra (3), 504:C / NMR-Reference 2 (1), 702:B / RegBook 1 (1), 993:A / Sax 6 , 1460 / Sigma FT-IR 1 (2), 586:B / Structure Index 1 , 154:D:9 / Vapor Phase 3 , 803:D
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • 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

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301+H311+H331
  • H301+H331
  • H331 Toxic if inhaled 吸入中毒
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
RTECSLT2300000
Precautionary statements
  • 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。
  • P301+P310+P330
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • 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。
  • P332+P313
  • P302+P352+P312+P361+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
  • P304+P340+P311
  • P305+
  • P403+P233
Signal word
UN Number
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);
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Risk Statements
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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           : 132 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 12,157,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#05718

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 17 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 241,255,1990

其他信息

  • 上游原料:马来酸酐 --> 马来酸 --> 富马酸 --> 富马酰胺
  • 用途一:用于有机合成。
  • MOL 文件:764-42-1.mol
  • Alfa Aesar:富马酸腈,98+% Fumaronitrile, 98+%(764-42-1)
  • 图谱信息:反丁烯二腈 (764-42-1)红外图谱(IR1) 反丁烯二腈 (764-42-1)核磁图( 1 HNMR) 反丁烯二腈 (764-42-1)Raman光谱 反丁烯二腈 (764-42-1)核磁图( 13 CNMR) 反丁烯二腈 (764-42-1)质谱(MS) 反丁烯二腈 (764-42-1)红外图谱(IR2)
  • TCI Shanghai:反丁烯二腈 Fumaronitrile,>;98.0%(GC)(764-42-1)
  • 方法一:由反丁烯二酸制得,反丁烯二酸的化学性质与顺丁烯二酸相似,反丁烯二酸加热至250-300℃转变顺丁烯二酸酐,反丁烯二酸也能生成一元及二元酯或酰胺,但不能生成一元酰氯而可生成二元酰氯。反丁烯二酸酯化生成反丁烯二酸二乙酯,再经酰胺化,脱水即得反丁烯二腈。1.酰胺化将反丁烯二酸二乙酯冷至0℃,搅拌下慢慢加入氨水,加完后再搅拌4h,过滤,用少量水洗一次,晾干,得反丁烯酰胺[627-64-5]。2.脱水将上述反丁烯酰胺与五氧化二磷混匀后,加热,减压蒸馏至无馏出物为止,得反丁烯二腈粗品。将粗品溶于苯中,摇动下倒入石油醚中,过滤,凉干即得成品。
  • Acros Organics:富马二腈/丁烯二腈 Fumaronitrile, 98%(764-42-1)
  • Sigma Aldrich:764-42-1(sigmaaldrich)

系列性分类


相关产品推荐