2,5-Dichlorobenzoic Acid 2,5-二氯苯甲酸

CAS 50-79-3 MFCD00002416

化学结构图

50-79-3
SMILES: O=C(O)c1cc(Cl)ccc1Cl

化学属性

Mol. FormulaC7H4Cl2O2
Mol. Weight191.01
Density1.518
Boiling Point301°C at 760 mmHg
Melting Point151-154°C
TSCAYes
Solubility<0.1 G/100 ML AT 19 ºC
Flash Point300-302°C

别名和识别编码

Chemical Name2,5-Dichlorobenzoic Acid
CAS Number50-79-3
Alfabeta NameDICHLOROBENZOICACID 25-,
MDL NumberMFCD00002416
Synonym 2,5-Dichlorobenzoic acid {LY} 2,5-Dichlorobenzoic acid {} {LY} 2,5-Dichlorobenzoic acid {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dichlorobenzoic acid {} {} {} {} {} {} {} {} {} {}
EC Number200-065-7
Beilstein Registry Number973353
PubChem Substance ID5784
Chemical Name Translation2,5-二氯苯甲酸
Reaxys-RN973353
Wiswesser Line NotationQVR BG EG
LabNetwork Molecule IDLN00173708
InChIInChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
Canonical SMILESC1=C(Cl)C=CC(=C1C(O)=O)Cl
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Analytical Standards, D, 农残和代谢标准品, 分析/色谱, 按照字母排序
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, D, DIA - DIC, Environmental Standards, Pesticides & Metabolites

相关文献及参考

  • Beilstein:9,342

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；
  • 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；
  • 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
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。
  • 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。
  • P302+P352
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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.....
RTECSDG6825000
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 
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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 237 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 264,1,1991

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

  • 海关编码:29163900
  • TCI Shanghai:2,5-二氯苯甲酸 2,5-Dichlorobenzoic Acid,>;99.0%(T)(50-79-3)
  • 方法一:1.光气法 由对二氯苯与光气反应得2,5-二氯苯甲酰氯，再经水解而得。2.氯甲基化法由对二氯苯与多聚甲醛作用，再经高锰酸钾氧化而得。对二氯苯的氯甲基化收率为53.4%，第三步氧化反应的收率为83%。3.三氯苯法以1,2,4-三氯苯为原料，制成2,5-二氯苯腈后再经碱解而得。4.苯甲酰氯法由苯甲酰氯经氯化、水解而得。苯甲酰氯的氯化温度控制在35-45℃之间，得到的氯化物主要成分为2,5-二氯苯甲酰氯（含量65%），再在存在浓硫酸的条件下，于40-50℃水解。5.对二氯苯四氯化碳法。
  • 用途二:作有机合成中间体。用于合成除草剂豆科威、地草平等，该农药药害少，不受雨天影响。
  • 2,5-二氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 D0338 2,5-二氯苯甲酸 2,5-Dichlorobenzoic Acid 25G 640元 2010/06/21 163240100 2,5-二氯苯甲酸 2,5-Dichlorobenzoic acid 97% 10 GR 400元 2010/06/21 163240500 2,5-二氯苯甲酸 2,5-Dichlorobenzoic acid 97% 50 GR 1136元
  • 下游产品:伊索拉定
  • MOL 文件:50-79-3.mol
  • Sigma Aldrich:50-79-3(sigmaaldrich)
  • Alfa Aesar:2,5-二氯苯甲酸,98+% 2,5-Dichlorobenzoic acid, 98+%(50-79-3)
  • 2,5-二氯苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0338 2,5-二氯苯甲酸 2,5-Dichlorobenzoic Acid 25G 506元 2010/06/21 163240100 2,5-二氯苯甲酸 2,5-Dichlorobenzoic acid 97% 10 GR 400元 2010/06/21 163240500 2,5-二氯苯甲酸 2,5-Dichlorobenzoic acid 97% 50 GR 1136元
  • 上游原料:高锰酸钾 --> 多聚甲醛 --> 三氯苯 --> 对二氯苯 --> 2,5-二氯苯甲酰氯 --> 2,5-二氯苯甲腈
  • 图谱信息:2,5-二氯苯甲酸(50-79-3)红外图谱(IR2) 2,5-二氯苯甲酸(50-79-3)核磁图( 13 CNMR) 2,5-二氯苯甲酸(50-79-3)红外图谱(IR1) 2,5-二氯苯甲酸(50-79-3)Raman光谱 2,5-二氯苯甲酸(50-79-3)质谱(MS)
  • 检测方法:HPLC,NMR
  • Acros Organics:2,5-二氯苯甲酸 2,5-Dichlorobenzoic acid, 97%(50-79-3)
  • MSDS 信息:2,5-Dichlorobenzoic acid(50-79-3).msds
  • 用途一:用作农药、医药中间体

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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