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


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