2,3,6-Trichlorobenzoic Acid 2,3,6-三氯苯甲酸

CAS 50-31-7 MFCD00053310

化学结构图

50-31-7
SMILES: O=C(O)c1c(Cl)ccc(Cl)c1Cl

化学属性

Mol. FormulaC7H3Cl3O2
Mol. Weight225.46
Melting Point126-127 °C
Solubility不溶于水,易溶于多数有机溶剂。
Density1.635
Boiling Point324.5±37.0 °C at 760 mmHg

别名和识别编码

Chemical Name2,3,6-Trichlorobenzoic Acid
CAS Number50-31-7
Synonym 2,3,6-Trichlorobenzoic acid {LY} 2,3,6-Trichlorobenzoic acid {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3,6-Trichlorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00053310
PubChem Substance ID5759
EC Number200-026-4
Chemical Name Translation2,3,6-三氯苯甲酸
Wiswesser Line NotationQVR BG CG FG
Beilstein Registry Number1873934
Reaxys-RN1873934
InChIInChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
Canonical SMILESC1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatic acid, Chromatography, Environmental Standards, Herbicides, Pesticides & Metabolites, T, TP - TZ

相关文献及参考

  • Beilstein: 9,345
  • Short: EINECS
  • Short: IV/8A

安全信息

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
RTECSDH7700000
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
GHS Symbol
WGK Germany2
Signal word Warning
Precautionary statements
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P312
  • P301+P312+P330
  • P330 Rinse mouth. 漱口
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xn,N
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Risk Statements
  • R51/53
  • R22 Harmful if swallowed 吞咽有害
UN Number UN 2811 6.1/PG 1 3077
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PEMNDP Pesticide Manual.  (The British Crop Protection Council, 20 Bridport
   Rd., Thornton Heath CR4 7QG, UK)  V.1-    1968-  Volume(issue)/page/year:
   9,782,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag
   New York, Inc., 1971  Volume(issue)/page/year: -,145,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GUCHAZ Guide to the Chemicals Used in Crop Protection.  (Information Canada,
   171 Slater St., Ottawa, Ont., Canada)  Volume(issue)/page/year: 6,515,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PEMNDP Pesticide Manual.  (The British Crop Protection Council, 20 Bridport
   Rd., Thornton Heath CR4 7QG, UK)  V.1-    1968-  Volume(issue)/page/year:
   9,782,1991

TYPE OF TEST            : LD5

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intra

Hazard Class9
Packing GroupIII
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

  • 外观性质:淡黄色至黄褐色结晶。
  • 储运特性:库房通风低温干燥; 与食品原料分开储运
  • 类别:农药
  • 毒性分级:中毒
  • Sigma Aldrich:50-31-7(sigmaaldrich)
  • MOL 文件:50-31-7.mol
  • 灭火剂:干粉、泡沫、砂土
  • MSDS 信息:2,3,6-三氯苯甲酸(50-31-7).msds
  • 可燃性危险特性:燃烧产生有毒氯化物气体
  • 易溶于乙醇、丙酮、二甲基甲酰胺等有机溶剂,对光稳定。大鼠急性经口LD50750~1500Mg/kg,急性经皮LD50>1000mg/kg。制剂有二甲胺盐的浓水剂。非选择性激素型除草剂。由苯甲酰氯经氯化,再水解制得。草芽平经叶和根吸收,可用于防除某些一年生和多年生深根阔叶杂草和某些灌木。易于受害的敏感作物有菜豆、番茄、棉花、各种观赏植物,果园和葡萄等。常与2-甲基-4-氯等激素型除草剂混用于防除禾谷类田中的,一年生双子叶杂草。用量为10~20kg/ha。
  • 急性毒性:口服- 大鼠 LD50: 650 毫克 / 公斤

系列性分类


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