2,4-Dichlorobenzoic Acid 2，4-二氯苯甲酸

CAS 50-84-0 MFCD00002414

化学结构图

50-84-0
SMILES: O=C(O)c1ccc(Cl)cc1Cl

化学属性

Mol. FormulaC7H4Cl2O2
Mol. Weight191.01
Density1.517
Melting Point157-160°C
TSCAYes
Boiling Point309.5°C at 760 mmHg
SolubilitySoluble in ethanol (100 mg/ml), water (0.48 mg/ml), alcohol, ether, and acetone.
Appearance 白色至淡黄色针状结晶或粉末。 溶于乙醇、乙醚、苯、丙酮、氯仿、5%烧碱溶液，不溶于水及庚烷。

别名和识别编码

Chemical Name2,4-Dichlorobenzoic Acid
CAS Number50-84-0
Alfabeta NameDICHLOROBENZOICACID 24-,
MDL NumberMFCD00002414
Synonym 2,4-Dichlorobenzoic acid {LY} 2,4-Dichlorobenzoic acid {} {LY} 2,4-Dichlorobenzoic acid {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} { {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {}
EC Number200-067-8
Beilstein Registry Number9,342
PubChem Substance ID5787
Chemical Name Translation2，4-二氯苯甲酸
Reaxys-RN1868192
Wiswesser Line NotationQVR BG DG
LabNetwork Molecule IDLN00173489
Canonical SMILESC1=CC(=CC(=C1C(O)=O)Cl)Cl
InChIInChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂
  • {SNA} Analytical Standards, D, 农残和代谢标准品, 分析/色谱, 按照字母排序
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, D, DIA - DIC, Environmental Standards, Pesticides & Metabolites

产品应用

  • 药物、染料和杀菌剂等的中间体。用于抗疟药盐酸阿的平、非汞利尿药速尿的生产。

相关文献及参考

  • Beilstein:9,342
  • Short: EINECS
  • Short: III/20b

安全信息

Warnings IRRITANT
Signal word
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；
  • 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；
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。
  • P264+P265
  • 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。
  • 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
  • P301+P312+P330
  • P301+P317
  • 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）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+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
  • 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
RTECSDG6650000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi 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       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 830 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   SKEZAP Shokuhin Eiseigaku Zasshi.  Food Hygiene Journal.  (Nippon Shokuhin
   Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo
   150, Japan)  V.1-    1960-  Volume(issue)/page/year: 20,332,1979

其他信息

  • 用途四:可用作染料、杀菌剂、药物的中间体。用于抗疟药盐酸阿的平、非汞利
  • 用途二:用于染料制造及有机合成
  • 方法二:2,4-二氨基甲苯在硫酸、亚硝酸钠存在下，经重氮化反应，再在氯化亚铜存在下进行置换得2,4-二氯甲苯，后者用高锰酸钾氧化得2,4-二氯苯甲酸钾盐，再用盐酸酸化得2,4-二氯苯甲酸，反应产物经结晶，洗涤、干燥，得成品。
  • 常规方法:本品一般多作为中间体用，不作商品出售，贮于阴凉通风干燥处。
  • Acros Organics:2，4-二氯苯甲酸 2,4-Dichlorobenzoic acid, 98%(50-84-0)
  • Hazard Note:Irritant
  • 用途一:用作医药、染料、农药中间体
  • 下游产品:2,4-二氯苯甲酰氯 --> 2,4-二氯-3,5-二硝基苯甲酸 --> 2,4-二氯-5-磺酰胺基苯甲酸 --> 氯苯扎利 --> 2,4-二氯苯甲酸乙酯 --> 呋噻米 --> 2,4-二氯苯腈
  • TCI Shanghai:2,4-二氯苯甲酸 2,4-Dichlorobenzoic Acid,>;95.0%(GC)(T)(50-84-0)
  • 方法一:其制备方法是用2，4-二氯甲苯为原料，用氯气或光气进行侧链氯化得到2，4-α，α，α，-五氯甲苯，再进行水解可得到2，4-二氯苯甲酰氯和2，4-二氯苯甲酸。 也可用2，4-二氯甲苯进行氧化，氧化剂可用高锰酸钾，也可在催化剂存在下进行空气氧化，均能得到2，4-二氯苯甲酸。
  • 用途五:药物、染料和杀菌剂等的中间体。用于抗疟药盐酸阿的平、非汞利尿药速尿的生产。
  • 2,4-二氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0337 2,4-二氯苯甲酸 2,4-Dichlorobenzoic Acid 25G 137元 2014/06/02 D0337 2,4-二氯苯甲酸 2,4-Dichlorobenzoic Acid 500G 805元 2010/06/21 160900050 2,4-二氯苯甲酸 2,4-Dichlorobenzoic acid 98% 5 GR 212元
  • 海关编码:29163900
  • Alfa Aesar:2,4-二氯苯甲酸,98% 2,4-Dichlorobenzoic acid, 98%(50-84-0)
  • Sigma Aldrich:50-84-0(sigmaaldrich)
  • 能升华。溶于乙醇、乙醚、苯、氯仿和丙酮，5%烧碱溶液，不溶于水及庚烷。半数致死量(小鼠，皮下)1200mg/kg。有刺激性。
  • 图谱信息:2,4-二氯苯甲酸(50-84-0)红外图谱(IR1) 2,4-二氯苯甲酸(50-84-0)核磁图( 1 HNMR) 2,4-二氯苯甲酸(50-84-0)核磁图( 13 CNMR) 2,4-二氯苯甲酸(50-84-0)红外图谱(IR2) 2,4-二氯苯甲酸(50-84-0)Raman光谱 2,4-二氯苯甲酸(50-84-0)质谱(MS)
  • MSDS 信息:2,4-DCBA(50-84-0).msds
  • 用途三:2，4-二氯苯甲酸是杀菌剂啶斑肟的中间体，也是除草剂苄草唑和吡唑特的中间体。
  • 上游原料:高锰酸钾 --> 氯化亚铜 --> 光气(无法供) --> 2,4-二氯甲苯 --> 2,4-二氨基甲苯 --> 2,4-二氯苯甲酰氯 --> 甲酸钾 --> 五氯甲苯
  • MOL 文件:50-84-0.mol
  • 2,4-二氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 D0337 2,4-二氯苯甲酸 2,4-Dichlorobenzoic Acid 25G 135元 2011/04/16 D0337 2,4-二氯苯甲酸 2,4-Dichlorobenzoic Acid 500G 810元 2010/06/21 160900050 2,4-二氯苯甲酸 2,4-Dichlorobenzoic acid 98% 5 GR 212元

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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DIA - DIC - D
  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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