2-Furoic acid 糠酸

CAS 88-14-2 MFCD00003238

化学结构图

88-14-2
SMILES: O=C(O)c1ccco1

化学属性

Mol. FormulaC5H4O3
Mol. Weight112.08
Boiling Point230-232°C at 760 mmHg
Melting Point128-132°C
Flash Point137°(278°F)
TSCAYes
Solubility36 G/L (20 ºC)
Density1.324

别名和识别编码

Chemical Name2-Furoic acid
MDL NumberMFCD00003238
CAS Number88-14-2
Synonym 2-Furoic acid {LY} 2-Furoic acid {} {LY} 2-Furoic acid {} {} {LY} 2-Furoic acid {} {} {} {LY} 2-Furoic acid {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Furoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID6919
EC Number201-803-0
Beilstein Registry Number110149
Reaxys-RN110149
Merck Number4307
Chemical Name Translation糠酸
Wiswesser Line NotationT5OJ BVQ
LabNetwork Molecule IDLN00008646
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
Canonical SMILESO=C(C1=CC=CO1)O
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分类

  • {SNA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; aromatic; 5ring; carboxylic acid; ether; 1fragment

产品应用

  • 糠酸用于合成甲基呋喃，糠酰胺及糠酸酯和盐。

相关文献及参考

  • [2]. Hall IH, et al. The hypolipidemic effects of 2-furoic acid in Sprague-Dawley rats. Arch Pharm (Weinheim). 1993 Jan;326(1):15-23.
  • Adducts formed by the Diels-Alder trapping of arynes lose CO2 to give 1-naphthols: Tetrahedron, 42, 155 (1986); 45, 6281 (1989):
  • Merck: 14,4307
  • Merck: 14,4307 Beilstein:18,272
  • Short: II/27B
  • Short: III/35C2
  • [1]. Wordofa GG, et al. Tolerance and metabolic response of Pseudomonas taiwanensis VLB120 towards biomass hydrolysate-derived inhibitors. Biotechnol Biofuels. 2018 Jul 19;11:199.
  • [1]. Wordofa GG, et al. Tolerance and metabolic response of Pseudomonas taiwanensis VLB120 towards biomass hydrolysate-derived inhibitors. Biotechnol Biofuels. 2018 Jul 19;11:199.
  • [2]. Hall IH, et al. The hypolipidemic effects of 2-furoic acid in Sprague-Dawley rats. Arch Pharm (Weinheim). 1993 Jan;326(1):15-23.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes C;Xi C Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSLV1763000
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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • 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
Signal word Warning
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；
  • 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；
  • 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）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Packing GroupII
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHREEB Pharmaceutical Research.  (Thieme Inc., 381 Park Ave. S, New York, NY
   10016)  No.1-    1984-  Volume(issue)/page/year: 2,233,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   JOPHDQ Journal of Pharmacobio-Dynamics.  (Japan Pub. Trading Co. (USA), 1255
   Howard St., San Francisco, CA 94103)  V.1-    1978- Volume(issue)/page/year:
   1,15,1978

其他信息

  • 有升华性，133～134℃（50～60mmHg）升华，升华后呈针状结晶。 在空气中较稳定，易溶于乙醇和乙醚，1克2-糠酸可溶于26ml冷水或4ml沸水中。
  • Sigma Aldrich:18063-02-0(sigmaaldrich)

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. Furans 呋喃
  5. C4 to C7 - Furans
  1. Medical Research Areas
  2. Metabolism
  3. Acyltransferase  (酰基转移酶)
  1. Medical Research Areas
  2. Metabolism
  3. ATP Citrate Lyase  (ATP柠檬酸裂解酶)
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)