3,4-Dihydroxy-3-cyclobutene-1,2-dione 3,4-二羟基-3-环丁烯-1,2-二酮

CAS 2892-51-5 MFCD00001334

化学结构图

2892-51-5
SMILES: O=c1c(O)c(O)c1=O

化学属性

Mol. FormulaC4H2O4
Mol. Weight114.05628
Melting Point>300°C
Density2.415
Flash Point190°(374°F)
TSCAYes
Solubility20 G/L (30 ºC)
pH:A
Boiling Point250.96 °C at 760 mmHg

别名和识别编码

Chemical Name3,4-Dihydroxy-3-cyclobutene-1,2-dione
CAS Number2892-51-5
Alfabeta NameDIHYDROXYCYCLOBUTENEDIONE 34312-----,,
MDL NumberMFCD00001334
Synonym 3,4-Dihydroxy-3-cyclobutene-1,2-dione {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione squaric acid squaric acid, dipotassium salt squaric acid, disilver (+1) salt squaric acid, disodium salt squaric acid, monopotassium salt squaric acid, monopotassium salt monohydrate squaric acid, nickel (+2), (1:1) salt dihydrate {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dione {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Dihydroxy-3-cyclobutene-1,2-dion
EC Number220-761-4
Beilstein Registry Number774275
PubChem Substance ID17913
Reaxys-RN774275
Merck Number8769
Chemical Name Translation3,4-二羟基-3-环丁烯-1,2-二酮
Wiswesser Line NotationL4VVTJ CQ DQ
LabNetwork Molecule IDLN00170294
InChIInChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H
Canonical SMILESO=C1C(C(O)=C1O)=O
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分类

  • {uni_hamburg} no charge; carbocycle; 4ring; ketone; alcohol; 1fragment
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Materials Science, Organic Building Blocks, Organic and Printed Electronics, Synthetic Intermediates
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Materials Science, Organic Building Blocks, Organic and Printed Electronics, Synthetic Intermediates, Synthetic Tools and Reagents

产品应用

  • 可作为酰化试剂，与富电活化芳环进行酰化反应。与含活泼双键、活泼甲基反应，生成具特殊性能的新化合物。用作合成有机光导体、液晶显示材料、激光书写记录材料及静电照相光受体材料的中间体。

相关文献及参考

  • Merck: 14,8769 Beilstein: 8,IV,2701
  • Short: III/31a
  • Merck: 14,8769
  • For reviews of squaric acid and its derivatives, see: Synthesis, 1, 649, 869 (1978); 961 (1980). See also: J. Chem. Soc., Perkin 1, 263 (1993).
  • Interesting dibasic acid, readily forming salts, acid chloride, esters, amides, etc. Esters of squaric acid have been used to synthesize chiral bioisosteres for the amino acid functionality: J. Org. Chem., 57, 6896 (1992).

安全信息

Warnings CORROSIVE
GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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, Faceshields, Gloves
Hazard Codes Xi
RTECSGU1800000
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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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+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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+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 Warning
Safety Statements
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
UN Number UN3261 3261
Packing GroupII
Hazard Class8 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 368 mg/kg/92W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   46,143,1971

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29144090
  • Sigma Aldrich:2892-51-5(sigmaaldrich)
  • TCI Shanghai:3,4-二羟基-3-环丁烯-1,2-二酮(聚合物的紫外吸收剂) 3,4-Dihydroxy-3-cyclobutene-1,2-dione,>;98.0%(LC)(T)(2892-51-5)
  • 用途一:可作为酰化试剂，与富电活化芳环进行酰化反应。与含活泼双键、活泼甲基反应，生成具特殊性能的新化合物。用作合成有机光导体、液晶显示材料、激光书写记录材料及静电照相光受体材料的中间体。
  • 具强酸性，其pKl=1.5；pK2=3.5。与三氯化铁水溶液产生深紫色。可被溴及高锰酸钾氧化，与苯肼无反应。性质与羧酸相似，可与碱成盐，可生成酯、酰氯、酰胺及混合酸酐。水中溶解度:20 G/L (30°C)。
  • 外观性质:具强酸性，其pKl=1.5；pK2=3.5。与三氯化铁水溶液产生深紫色。可被溴及高锰酸钾氧化，与苯肼无反应。性质与羧酸相似，可与碱成盐，可生成酯、酰氯、酰胺及混合酸酐。水中溶解度:20 G/L (30°C)。熔点:300 °C 闪点:190 °C
  • 方酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 D1399 3,4-二羟基-3-环丁烯-1,2-二酮 3,4-Dihydroxy-3-cyclobutene-1,2-dione 25G 1890元 2011/04/16 D1399 3,4-二羟基-3-环丁烯-1,2-二酮 3,4-Dihydroxy-3-cyclobutene-1,2-dione 5G 682元 2010/06/21 154021000 方酸 3,4-Dihydroxy-3-cyclobutene-1,2-dione 99% 100 GR 6715元
  • 图谱信息:方酸(2892-51-5)红外图谱(IR1) 方酸(2892-51-5)红外图谱(IR2) 方酸(2892-51-5)质谱(MS)
  • Hazard Note:Irritant
  • Acros Organics:3,4-二羟基-3-环丁烯-1,2-二酮 3,4-Dihydroxy-3-cyclobutene-1,2-dione, 99%(2892-51-5)
  • MOL 文件:2892-51-5.mol
  • MSDS 信息:3,4-Dihydroxy-3-cyclobutene-1,2-dione(2892-51-5).msds
  • 方酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1399 3,4-二羟基-3-环丁烯-1,2-二酮 3,4-Dihydroxy-3-cyclobutene-1,2-dione 25G 1670元 2014/06/02 D1399 3,4-二羟基-3-环丁烯-1,2-二酮 3,4-Dihydroxy-3-cyclobutene-1,2-dione 5G 539元 2010/06/21 154021000 方酸 3,4-Dihydroxy-3-cyclobutene-1,2-dione 99% 100 GR 6715元
  • Alfa Aesar:3,4-二羟基-3-环丁烯-1,2-二酮,98+% 3,4-Dihydroxy-3-cyclobutene-1,2-dione, 98+%(2892-51-5)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C3 to C6 - Ketones
  1. Materials Science 材料科学
  2. Products for Organic & Printed Electronics Research
  3. Synthetic Tools and Reagents - Organic and Printed Electronics
  4. Synthetic Intermediates - Synthetic Tools and Reagents
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Simple 4-Membered Ring Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C15 to C38
  1. Functional Group 官能团索引
  2. enediol