MCPB 4-(4-氯-2-甲基苯氧基)丁酸

CAS 94-81-5 MFCD00002820

化学结构图

94-81-5
SMILES: Cc1cc(Cl)ccc1OCCCC(=O)O

化学属性

Mol. FormulaC11H13ClO3
Mol. Weight228.67
Solubility不溶于水、苯酚，溶于乙醇。
Density1.23
Melting Point101-102 °C
Boiling Point327.31 °C at 760 mmHg

别名和识别编码

Chemical NameMCPB
Synonym 4-(4-Chloro-2-methylphenoxy)butanoic acid {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(4-Chloro-2-methylphenoxy)butanoic acid {} {} {} {} {} {} {}
MDL NumberMFCD00002820
PubChem Substance ID7207
Beilstein Registry Number2215202
CAS Number94-81-5
EC Number202-365-3
Chemical Name Translation4-(4-氯-2-甲基苯氧基)丁酸
Wiswesser Line NotationQV3OR DG B1
InChIInChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
Canonical SMILESCC1=CC(=CC=C1OCCCC(=O)O)Cl
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分类

  • Alpha sort, Alphabetic
  • {SNA} Analytical Standards,
  • {
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, H-M, M, MA - MD, MCPB metabolites, Phenoxy structure,
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, H-M, Herbicides, M, MA - MD, MCPB metabolites, Metabolites, Pesticides & Metabolites, Phenoxy structure
  • {SNA} Alphabetical Index

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSES8575000
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P273 Avoid release to the environment. 避免释放到环境中。
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Hazard Codes N
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
Risk Statements
  • R50/53
Storage condition 0-6°C
UN Number UN3077 9/PG 3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 680 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/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: -,C303,1991

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 13500 umol/L
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   10,161,1974

其他信息

  • RTECS号:ES8575000
  • 外观性质:结晶固体。
  • 图谱信息:2-甲基-4-氯苯氧基丁酸(94-81-5)核磁图( 13 CNMR) 2-甲基-4-氯苯氧基丁酸(94-81-5)质谱(MS) 2-甲基-4-氯苯氧基丁酸(94-81-5)红外图谱(IR2) 2-甲基-4-氯苯氧基丁酸(94-81-5)核磁图( 1 HNMR) 2-甲基-4-氯苯氧基丁酸(94-81-5)红外图谱(IR1)
  • MOL 文件:94-81-5.mol

系列性分类

  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. Alpha sort - Pesticides & Metabolites
  7. H-M - Alpha sort
  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. Herbicides for Use in Environmental Chromatography Standards
  7. Phenoxy structure - Herbicides
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. MA - MD - M

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