4-(2,4-Dichlorophenoxy)butanoic acid 4-（2,4-二氯苯氧基）丁酸

CAS 94-82-6 MFCD00002819

化学结构图

94-82-6
SMILES: O=C(O)CCCOc1ccc(Cl)cc1Cl

化学属性

Mol. FormulaC10H10Cl2O3
Mol. Weight249.093
Melting Point118-120 °C
Solubility难溶于水，易溶于多数有机溶剂。
Density1.11
Boiling Point324.35 °C at 760 mmHg

别名和识别编码

Chemical Name4-(2,4-Dichlorophenoxy)butanoic acid
Synonym 4-(2,4-Dichlorophenoxy)butanoic acid {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2,4-Dichlorophenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002819
PubChem Substance ID1489
Beilstein Registry Number1976809
EC Number202-366-9
CAS Number94-82-6
Chemical Name Translation4-（2,4-二氯苯氧基）丁酸
Merck Number13,2855
Wiswesser Line NotationQV3OR BG DG
InChIInChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
Canonical SMILESO=C(CCCOC1=CC=C(C=C1Cl)Cl)O
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, D, DA - DH, Environmental Standards, Phenoxy structure, Plant growth regulators, 农残和代谢标准品, 农残标准品, 按照字母排序, 灭草剂
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Chromatography, D, DA - DH, Environmental Standards, Phenoxy structure, Plant growth regulators, 农残和代谢标准品, 农残标准品, 分析/色谱, 按照字母排序, 灭草剂
  • {SNA} Analytical Standards,
  • {SNA} A-D,

相关文献及参考

  • Merck: 14,2835
  • Short: EINECS
  • Short: IV/8A
  • Merck: 14,2835 Beilstein: 6,III,708

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
Hazard statements
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
RTECSES9100000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Hazard Codes Xn;N Xn,N
Safety Statements
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签；
  • S29 Do not empty into drains 不要排入下水道；
  • 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；
  • S25 Avoid contact with eyes 避免眼睛接触；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R51/53
UN Number UN 3077 9/PG 3 3077
Packing GroupIII
Hazard Class6.1(b)
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       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   WRPCA2 World Review of Pest Control.  (London, UK)  V.1-10, 1962-71.
   Discontinued.  Volume(issue)/page/year: 9,119,1970

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 29(1),12,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FMCHA2 Farm Chemicals Handbook.  (Meister Pub., 37841 Euclid Ave.,
   Willoughy, OH 44094)  Volume(issue)/page/year: -,C95,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RREVAH Residue Reviews.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1962-  Volume(issue)/page/year:
   10,97,1965

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 mg/disc
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB80-133226

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 mg/disc
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB80-133226

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 17 mg/kg
SEX/DURATION            : female 1-7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
   Reproductive - Effects on Newborn - stillbirth
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 41(2),20,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 416 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 41(2),20,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 416 mg/kg
SEX/DURATION            : female 5 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 41(2),20,1976

其他信息

  • 储运特性:库房通风低温干燥; 与食品原料分开储运
  • 方法一:2，4-滴的合成 先合成苯酚钠与氯乙酸钠，然后两者缩合，反应在110～120℃下进行，反应过程维持溶液微碱性，一氯醋酸与苯酚投料比1：1.16。然后进行氯化反应，以氯气为氯化剂，反应温度92～98℃。 也有报道采用下列操作方法：工业苯酚31.6g(0.332mol)和适量甲苯混合后，升温至近回流点，同时滴加氢氧化钠和氯乙酸水溶液，滴加时间1h，于回流温度反应1h，反应毕加自来水230mL，分出有机相溶剂循环使用，得苯氧基乙酸，无需蒸馏操作，直接供氯化反应。以氯气为氯化剂。加微量催化剂（如碘粉），氯化时间1～3.5h，氯化温度65～90℃，氯化结束于室温下过滤洗涤，干燥得2，4-D 57.0g，两步总收率≥76%，质量明显提高。 2,4-滴丁酯的合成 将湿2，4-滴在搅拌下加入至定量丁醇中，升温至120～140℃，保持4h，充分脱水，丁醇回流。待分离器水面不再上升时，停止回流，升温至160～170℃，减压蒸出丁醇。
  • 类别:农药
  • 毒性分级:中毒
  • 图谱信息:2,4-二氯苯氧丁酸(94-82-6)红外图谱(IR2) 2,4-二氯苯氧丁酸(94-82-6)核磁图( 13 CNMR) 2,4-二氯苯氧丁酸(94-82-6)红外图谱(IR1) 2,4-二氯苯氧丁酸(94-82-6)质谱(MS)
  • Alfa Aesar:4-(2,4-Dichlorophenoxy)butyric acid, 95%(94-82-6)
  • MOL 文件:94-82-6.mol
  • 外观性质:白色结晶。
  • MSDS 信息:2,4-滴丁酸(94-82-6).msds
  • 上游原料:叔丁醇 --> 氯乙酸 --> 氯乙酸钠 --> 苯氧乙酸 --> 合成苯酚 --> 2,4-滴丁酯
  • 灭火剂:干粉、泡沫、砂土
  • 可燃性危险特性:燃烧产生有毒氯化物气体
  • 急性毒性:口服- 大鼠 LD50: 700 毫克/公斤
  • Sigma Aldrich:94-82-6(sigmaaldrich)
  • 用途一:广谱性、激素型除草剂，有良好的展着性和内吸性。通常用于水田和麦田等，主要防除禾本科作物田中的双子叶杂草、异性莎科及某些恶性杂草，如鸭舌草、眼子菜、小三棱草、蓼、看麦娘、豚草、野苋、藜等。

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. C10 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Pesticides - Pesticides & Metabolites
  7. Plant growth regulators - Pesticides
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DIA - DIC - D

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