Isophthalic acid 间苯二甲酸

CAS 121-91-5 MFCD00002516

化学结构图

121-91-5
SMILES: O=C(O)C1CCCC(C(=O)O)C1

化学属性

Mol. FormulaC8H6O4
Mol. Weight166.13
Melting Point341-343°C
Density1.54
TSCAYes
Autoignition Point1198 °F
Solubility0.01 G/100 ML (25 ºC)
Appearance 由水或乙醇结晶者为无色结晶。 微溶于水，不溶于苯、甲苯和石油醚，溶于甲醇、乙醇、丙酮和冰醋酸。
Stability对湿度敏感
Boiling Point378.3°C at 760 mmHg

别名和识别编码

Chemical NameIsophthalic Acid
Synonym Isophthalic acid {LY} Isophthalic acid isophthalate isophthalate, calcium (1:1)salt isophthalate, copper (+2) salt isophthalate, copper (+2) salt (1:1) isophthalate, disodium salt isophthalate, iron (+2) salt isophthalate, iron (+2) salt (1:1) isophthalic acid {} {LY} Isophthalic acid {} {} {LY} Isophthalic acid {} {} {} {LY} Isophthalic acid {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isophthalic acid {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1909332
PubChem Substance ID8496
CAS Number121-91-5
EC Number204-506-4
MDL NumberMFCD00002516
Reaxys-RN1909332
Merck Number5197
Chemical Name Translation间苯二甲酸
Wiswesser Line NotationQVR CVQ
LabNetwork Molecule IDLN00221033
InChIInChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Canonical SMILESO=C(O)C1=CC=CC(C(O)=O)=C1
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 分析试剂。有机合成。

相关文献及参考

  • Short: II/27B
  • Merck: 14,5197 Beilstein:9,832
  • Merck: 14,5197
  • Short: II/27C

安全信息

RTECSNT2007000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,317,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4200 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 246,851,1958

其他信息

  • 用途四:分析试剂。有机合成。
  • Acros Organics:间苯二甲酸 Isophthalic acid, 99%(121-91-5)
  • 易燃。低毒。。热至325℃以上升华而不熔化。易溶于甲醇、乙醇、丙酮和冰乙酸，微溶于沸水，几乎不溶于苯、甲苯和石油醚。有刺激性。水中溶解度:0.01g/100ml (25 C)
  • 间苯二甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30147827 间苯二甲酸;间酞酸; 间二羧基苯; 异苯二甲酸; 1,3-苯二羧酸 250g 124.3元 2011/04/16 I0155 间苯二甲酸 Isophthalic Acid 25G 117元 2011/04/16 I0155 间苯二甲酸 Isophthalic Acid 500G 225元
  • 上游原料:乙酸 --> 高锰酸钾 --> 间二甲苯 --> 乙酸钴 --> 间苯二甲腈 --> 四水合乙酸锰
  • 图谱信息:间苯二甲酸(121-91-5)核磁图( 13 CNMR) 间苯二甲酸(121-91-5)红外图谱(IR1) 间苯二甲酸(121-91-5)红外图谱(IR2) 间苯二甲酸(121-91-5)质谱(MS)
  • 用途一:用作色谱分析试剂，也用于有机合成
  • TCI Shanghai:间苯二甲酸 Isophthalic Acid,>;99.0%(GC)(T)(121-91-5)
  • Alfa Aesar:间苯二甲酸,99% Isophthalic acid, 99%(121-91-5)
  • Sigma Aldrich:121-91-5(sigmaaldrich)
  • 用途三:用于生产醇酸树脂、不饱和聚酯树脂及其他高聚物和增塑剂，也用于制造电影胶片成色剂，涂料和聚酯纤维染色改性剂及医药等。
  • MSDS 信息:1,3-Benzenedicarboxylic acid(121-91-5).msds
  • 下游产品:间苯二甲腈 --> 2-碘酰基苯甲酸 --> 1,3-苯二甲酸二甲酯-5-磺酸钠 --> 2,6-二氰基-4-硝基苯胺 --> 间苯二甲酸二甲酯 --> 2,4,5-三氟苯甲酸 --> 3-氨基-5-羧基-N-甲基苯甲酰胺 --> 5-硝基异酞酸 --> 5-氨基-3-羧基-2,4,6-三碘-N-甲基苯甲酰胺 --> 间苯二甲酸二乙酯 --> 涤纶染色改性剂
  • 用途二:用于制醇酸树脂、不饱和聚酯树脂及其他高聚物和增塑剂，也用于制电影胶片成色剂、纤维染色改性剂等
  • 方法一:工业上以间二甲苯为原料，以乙酸钴为催化剂、乙醛为促进剂、乙酸为溶剂，在约0.6MPa压力下于120℃低温液相氧化制得间苯二甲酸。原料消耗定额：间二甲苯（≥95%）900kg/t、乙醛（≥96%）600kg/t、乙酸（≥96%）500kg/t、乙酸钴（≥98%）25kg/t。另外，间苯二甲腈水解，或间二甲苯用高锰酸钾氧化也是工业上采用的生产间苯二甲酸的方法。
  • 海关编码:29173980
  • MOL 文件:121-91-5.mol

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. C8 - 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. 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. C7