5-Nitrofuran-2-carbaldehyde 5-硝基呋喃-2-甲醛

CAS 698-63-5 MFCD00003230

化学结构图

698-63-5
SMILES: O=Cc1ccc([N+](=O)[O-])o1

化学属性

Mol. FormulaC5H3NO4
Mol. Weight141.08
Refractive indexn20/D 1.59(lit.)
Boiling Point252.2°C at 760 mmHg
Density1.349 g/mL at 25 °C(lit.)
Melting Point37-39°C
Flash Point>100°(212°F)
TSCANo
Solubility微溶
Appearance 无色结晶。熔点37-39℃（35-36℃），沸点128-132℃（0.133kPa），相对密度1.349，折光率1.5905，闪点33℃。稍溶于水。

别名和识别编码

Chemical Name5-Nitrofuran-2-carbaldehyde
Synonym 5-Nitrofuran-2-carbaldehyde {LY} 5-Nitrofuran-2-carbaldehyde {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrofuran-2-carbaldehyde {} {} {} {} {} {} {} {} {} {} {}
CAS Number698-63-5
PubChem Substance ID87573734
EC Number211-816-3
Beilstein Registry Number17(3/4)4459
MDL NumberMFCD00003230
Reaxys-RN120539
Alfabeta NameNITROFURALDEHYDE 52---
Chemical Name Translation5-硝基呋喃-2-甲醛
Wiswesser Line NotationT5OJ BVH ENW
LabNetwork Molecule IDLN00010435
Canonical SMILESO=CC1=CC=C([N+]([O-])=O)O1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; aromatic; 5ring; aldehyde; 1fragment
  • {SNA} Aldehydes, Building Blocks, C1 to C6, C4 to C7, Carbonyl Compounds, Chemical Synthesis, Furans, Heterocyclic Building Blocks, Organic Building Blocks

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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
  • Beil. 17 ,V,9,323
  • Aldrich MSDS 1 , 1365:D / Corp MSDS 1 (2), 2573:C / FT-IR 1 (2), 586:A / FT-IR 2 (3), 3449:A / FT-NMR 1 (3), 26:

安全信息

GHS Symbol
WGK Germany3
Hazard Codes F F,Xi,Xn F;Xn
Hazard statements
  • H228 Flammable solid 易燃固体
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSLT7200000
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Signal word Danger Warning
UN Number UN 1325 4.1/PG 2 1325
Risk Statements
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • 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；
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture Air & Light Sensitive Flammables area {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moi
Warnings IRRITANT
Packing GroupII
Hazard Class4.1 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 15 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 81,21,1981

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 50 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 81,21,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 1 gm/L
REFERENCE :
   AMACCQ Antimicrobial Agents and Chemotherapy.  (American Soc. for
   Microbiology, 1913 I St., NW, Washington, DC 20006)  V.1-    1972-
   Volume(issue)/page/year: 9,682,1976

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,15,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Protozoa - Euglena gracilis
DOSE/DURATION           : 5 mg/L
REFERENCE :
   AFRNDS Acta Facultatis Rerum Naturalium Universitatis Comenianae, Formatio
   et Protectio Naturae. (Slovenske Pedagogicke Nakladatel'stvo, Sasinkova 5,
   89112 Bratislava, Czechoslovakia) No.1-    1976-  Volume(issue)/page/year:
   5,131,1979

其他信息

  • Alfa Aesar:5-硝基-2糠醛,99% 5-Nitro-2-furaldehyde, 99%(698-63-5)
  • 下游产品:5-硝基-2-糠酰氯 --> 5-硝基呋喃-2-丙烯酸 --> 5-硝基糠腈 --> 呋喃西林 --> 硝呋烯腙
  • 图谱信息:5-硝基糠醛(698-63-5)红外图谱(IR1) 5-硝基糠醛(698-63-5)质谱(MS)
  • 上游原料:氢氧化钠 --> 乙酸乙酯 --> 乙醚 --> 硫酸 --> 石油醚 --> 硝酸 --> 硫酸钠 --> 乙酐 --> 碳酸氢钠 --> 吡啶 --> 对甲苯磺酸 --> 糠醛
  • Hazard Note:Irritant
  • 用途一:用作药物中间体
  • MSDS 信息:5-Nitrofurfural(698-63-5).msds
  • TCI Shanghai:5-硝基-2-糠醛 5-Nitro-2-furaldehyde,>;97.0%(GC)(698-63-5)
  • 敏感性:Air & Light Sensitive
  • 5-硝基糠醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0387 5-硝基-2-糠醛 5-Nitro-2-furaldehyde 25G 889元 2014/06/02 N0387 5-硝基-2-糠醛 5-Nitro-2-furaldehyde 5G 305元 2010/06/21 173860500 5-硝基糠醛 5-Nitro-2-furaldehyde 97% 50 GR 2241元
  • 海关编码:29321900
  • 用途二:用作消毒防腐药呋喃西林的中间体。
  • Acros Organics:5-硝基-2-糠醛 5-Nitro-2-furaldehyde, 97%(698-63-5)
  • 方法一:由糠醛经硝化、酯化、水解而得。
  • MOL 文件:698-63-5.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Coumarins 香豆素
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  5. C4 to C7 - Furans

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