1,2,4-Benzenetricarboxylic acid 1,2,4-苯三甲酸

CAS 528-44-9 MFCD00002470

化学结构图

528-44-9
SMILES: OC(=O)C1C=CC(=CC=1C(O)=O)C(O)=O

化学属性

Mol. FormulaC9H6O6
Mol. Weight210.14
Melting Point229-231 °C
TSCAYes
Solubility2.1 G/100 ML (25 ºC)
Density1.654
Appearance 白色结晶。熔点229-230℃（238℃）。易溶于乙醇和二甲基甲酰胺，溶于丙酮，略溶于水和乙酸乙酯，几乎不溶于苯、氯仿和二硫化碳。
Boiling Point309.65 °C at 760 mmHg

别名和识别编码

Chemical Name1,2,4-Benzenetricarboxylic acid
Synonym Benzene-1,2,4-tricarboxylic acid {LY} Benzene-1,2,4-tricarboxylic acid {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzene-1,2,4-tricar
MDL NumberMFCD00002470
CAS Number528-44-9
PubChem Substance ID87563253
Beilstein Registry Number2214815
EC Number208-432-3
Merck Number9702
Reaxys-RN2214815
Chemical Name Translation1,2,4-苯三甲酸
Wiswesser Line NotationQVR BVQ DVQ
LabNetwork Molecule IDLN00222218
Canonical SMILESO=C(C1=CC=C(C(O)=O)C=C1C(O)=O)O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 制备偏苯三甲酸酐、偏苯三甲酸酯，用于树脂、增塑剂、染料、胶粘剂等方面。

相关文献及参考

  • Short: III/35D2
  • Merck: 14,9702 Beilstein:9,977
  • Short: III/10a
  • Merck: 14,9702

安全信息

WGK Germany2
GHS Symbol
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
  • 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
  • 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
  • H303 May be harmfully swallowed 吞食可能有害
  • 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
RTECSDC1980000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S37 Wear suitable gloves 戴适当手套；
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
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(7),57,1974

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

  • 下游产品:液晶环氧树脂
  • 方法一:以偏三甲苯（1,2,4-三甲苯）为原料，经硝酸氧化或高锰酸钾氧化或液相空气氧化而得。1.硝酸氧化法 第一步氧化：偏三甲苯与硝酸的摩尔比为1：2.16，硝酸浓度为17%，反应温度200℃，反应压力约3.9MPa以下。第二步氧化：偏三甲苯与硝酸的摩尔比为1：4.5，硝酸浓度为50%，反应温度180℃，反应压力约3.9MPa以下。反应所得偏苯三酸母液经冷却、结晶、离心、洗涤干燥成品。收率55%以上。2.高锰酸钾氧化法 以纯度为95%的偏三甲苯为原料，在20-30倍水存在下，于90-95℃温度下用高锰酸钾氧化，所得产物经酸化、重结晶、烘干，得白色针状结晶。
  • 图谱信息:1,2,4-苯三甲酸(528-44-9)核磁图( 1 HNMR) 1,2,4-苯三甲酸(528-44-9)质谱(MS) 1,2,4-苯三甲酸(528-44-9)红外图谱(IR2) 1,2,4-苯三甲酸(528-44-9)红外图谱(IR1) 1,2,4-苯三甲酸(528-44-9)核磁图( 13 CNMR)
  • 上游原料:乙醇 --> 氢氧化钠 --> 盐酸 --> 硫酸 --> 甲苯 --> 亚硝酸钠 --> 氯化亚锡 --> 氰化亚铜 --> 1,2,4-三甲基苯 --> 4-硝基邻苯二甲酸 --> 三酸
  • 用途一:制备偏苯三甲酸酐、偏苯三甲酸酯，用于树脂、增塑剂、染料、胶粘剂等方面。
  • 1,2,4-苯三甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0042 偏苯三酸 Trimellitic Acid 25G 374元 2014/06/02 B0042 偏苯三酸 Trimellitic Acid 500G 3010元 2010/06/21 349030050 1,2,4-苯三甲酸 1,2,4-Benzenetricarboxylic acid 98% 5 GR 461元
  • MOL 文件:528-44-9.mol
  • Hazard Note:Irritant
  • 易溶于乙醇和二甲基甲酰胺，溶于丙酮，略溶于水和乙酸乙酯，几乎不溶于苯、氯仿和二硫化碳。
  • Alfa Aesar:1，2，4-苯三甲酸,98% 1,2,4-Benzenetricarboxylic acid, 98%(528-44-9)
  • TCI Shanghai:1,2,4-苯三羧酸 Trimellitic Acid,>;98.0%(LC)(T)(528-44-9)
  • Sigma Aldrich:528-44-9(sigmaaldrich)
  • Acros Organics:1,2,4-Benzenetricarboxylic acid, 99+%(528-44-9)

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. Carboxylic Acids - Carbonyl Compounds
  6. C9 - Carboxylic 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. Carboxylic Acids - Carbonyl Compounds
  6. C9 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  5. UV/Vis Solvents - UV/Visible (UV/VIS) Spectroscopy
  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. Carboxylic Acids
  6. C8