2,3-dichlorobenzoic acid 2,3-dichlorobenzoic acid

CAS 50-45-3 MFCD00002413

化学结构图

50-45-3
SMILES: O=C(O)c1cccc(Cl)c1Cl

化学属性

Mol. FormulaC7H4Cl2O2
Mol. Weight191.01
Melting Point168-170°C
Density1.517
TSCANo
Solubility略溶于水
Appearance 白色结晶粉末
Boiling Point306.9°C at 760 mmHg
pH:A

别名和识别编码

Chemical Name2,3-dichlorobenzoic acid
CAS Number50-45-3
Alfabeta NameDICHLOROBENZOICACID 23-,
MDL NumberMFCD00002413
Synonym 2,3-Dichlorobenzoic acid {LY} 2,3-Dichlorobenzoic acid {} {LY} 2,3-Dichlorobenzoic acid {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number200-039-5
Beilstein Registry Number1946217
PubChem Substance ID5765
Reaxys-RN1946217
Chemical Name Translation2,3-dichlorobenzoic acid
Wiswesser Line NotationQVR BG CG
LabNetwork Molecule IDLN00132652
InChIInChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=CC(Cl)=C1Cl
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分类

  • {SNA} Additional Stan
  • {SNA} Additional Standards, Analytical Standards,
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • {SNA} Additional Standards, Analytical Standards, Chromatography, Pharmaceutic

相关文献及参考

  • Beilstein:9(4)998

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
RTECSDG6475000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   13,1538,1964

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

  • MOL 文件:50-45-3.mol
  • MSDS 信息:2,3-Dichlorobenzoic acid(50-45-3).msds
  • TCI Shanghai:2,3-二氯苯甲酸 2,3-Dichlorobenzoic Acid,>;97.0%(GC)(50-45-3)
  • Acros Organics:2,3-二氯苯甲酸 2,3-Dichlorobenzoic acid, 98%(50-45-3)
  • 图谱信息:2,3-二氯苯甲酸(50-45-3)红外图谱(IR2) 2,3-二氯苯甲酸(50-45-3)红外图谱(IR1) 2,3-二氯苯甲酸(50-45-3)核磁图( 1 HNMR) 2,3-二氯苯甲酸(50-45-3)核磁图( 13 CNMR) 2,3-二氯苯甲酸(50-45-3)质谱(MS)
  • 2,3-二氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010372 2,3-二氯苯甲酸 100g 425元 2011/04/16 D3319 2,3-二氯苯甲酸 2,3-Dichlorobenzoic Acid 5G 449元 2011/04/16 D3319 2,3-二氯苯甲酸 2,3-Dichlorobenzoic Acid 25G 1330元
  • 下游产品:拉莫三嗪
  • 用途一:用于非洛地平、氯维定、拉莫三嗪等药物的合成
  • Sigma Aldrich:50-45-3(sigmaaldrich)
  • Alfa Aesar:2,3-二氯苯甲酸,98% 2,3-Dichlorobenzoic acid, 98%(50-45-3)
  • 微溶于水，溶于极性溶剂，不溶于非极性溶剂。

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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - 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. C7 - 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. C6

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