4-(Methoxycarbonyl)benzoic acid 对苯二甲酸单甲酯

CAS 1679-64-7 MFCD00002557

化学结构图

1679-64-7
SMILES: COC(=O)C1CCC(C(=O)O)CC1

化学属性

Mol. FormulaC9H8O4
Mol. Weight180.16
Density1.288
Melting Point220-223°C
TSCAYes
Boiling Point331.6°C at 760 mmHg

别名和识别编码

Chemical Name4-(Methoxycarbonyl)benzoic acid
CAS Number1679-64-7
Alfabeta NameMETHOXYCARBONYLBENZOICACID 4()-
MDL NumberMFCD00002557
EC Number216-849-7
Beilstein Registry Number1911082
PubChem Substance ID15513
Synonym 4-(Methoxycarbonyl)benzoic acid {LY} 4-(Methoxycarbonyl)benzoic acid {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methoxycarbonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation对苯二甲酸单甲酯
Reaxys-RN1911082
LabNetwork Molecule IDLN00129449
InChIInChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
Canonical SMILESC1=CC(=CC=C1C(O)=O)C(OC)=O
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分类

  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beilstein: 9,IV,3303

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
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
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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
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
Hazard Codes Xi
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

  • 对苯二甲酸单甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0244 对苯二甲酸单甲酯 Monomethyl Terephthalate 25G 1030元 2014/06/02 T0244 对苯二甲酸单甲酯 Monomethyl Terephthalate 500G 7320元 2010/06/21 352341000 对苯二甲酸单甲酯 mono-Methyl terephthalate 97% 100 GR 5560元
  • MOL 文件:1679-64-7.mol
  • 用途一:用作医药中间体
  • TCI Shanghai:对苯二甲酸单甲酯 Monomethyl Terephthalate,>;97.0%(T)(1679-64-7)
  • 制备方法:以对苯二甲酸二甲酯为原料,在KOH甲醇溶液中水解,再用盐酸酸化制备对苯二甲酸单甲酯,产品收率达91.2%。
  • 检测方法:HPLC
  • Acros Organics:对苯二甲酸单甲酯 mono-Methyl terephthalate, 97%(1679-64-7)
  • 下游产品:对苯二甲酸二甲酯
  • Sigma Aldrich:1679-64-7(sigmaaldrich)
  • 上游原料:盐酸 --> 乙酸乙酯 --> 甲醇 --> 乙醚 --> 四氢呋喃 --> 氢氧化钾 --> 对苯二甲酸二甲酯
  • MSDS 信息:1,4-Benzenedicarboxylic acid monomethyl ester(1679-64-7).msds
  • 海关编码:29173980
  • 用途二:用作汽油抗爆剂

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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Aromatic acids
  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. Esters
  6. C6 to C7

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