Ethyl 2-(4-Chlorophenoxy)-2-Methylpropanoate 氯贝丁酯

CAS 637-07-0 MFCD00000615

化学结构图

637-07-0
SMILES: CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1

化学属性

Mol. FormulaC12H15ClO3
Mol. Weight243
Density1.137
Boiling Point154-156
Refractive index1.5000 to 1.5050
Flash Point113 °C
Appearance liquid 无色或黄色透明油状液体,略及异臭。不溶于水,可溶于乙醇、丙酮、氯仿、乙醚。沸点148-150℃(2.67kPa)。

别名和识别编码

Chemical NameEthyl 2-(4-Chlorophenoxy)-2-Methylpropanoate
MDL NumberMFCD00000615
CAS Number637-07-0
Synonym (p-chlorophenoxy)dimethyl-aceticaciethylester 2-(4-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID ETHYL ESTER 2-(4-CHLOROPHENOXY)ISOBUTYRIC ACID ETHYL ESTER 2-(4-Chlorophenoxy)-2-methylpropionic 2-(4-Chlorophenoxy)-2-methylpropionic acid ethyl ester, Ethyl 2-(4-chlorophenoxy)-2-methylpropionate, Ethyl 2-(4-chlorophenoxy)isobutyrate 2-(4-chlorophen 2-(p-Chlorophenoxy)isobutyric acid ethyl ester Apolan At Ateriosan Atromid S Atromida Cloberat Clobrat Clobren-SF Clofibrat Clofipront Dura clofibrat EPIB Ethyl alpha-(4-chlorophenoxy)isobutyrate Hyclorate Klofiran Liponorm Neo-atromid Normolipol Ticlobran alpha-(p-chlorophenoxy)isob
Beilstein Registry Number1913459 1913459
PubChem Substance ID2796
EC Number211-277-4
Chemical Name Translation氯贝丁酯
Reaxys-RN1913459
Merck Number2377
Wiswesser Line NotationGR DOX1&1&VO2
LabNetwork Molecule IDLN00198126
InChIInChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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分类

  • {SNA} Bioactive Small Molecules, Building Blocks, C12 to C63, CI-CY, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Drugs, Additional Standards, Analytical Standards, Chromatography, Clofibrate, Pharmaceutical Standards, Pharmaceuticals, Illicit Drugs & Alcohol, 分析/色谱
  • {SNA} APIs
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Standards, Analytical Standards, Chromatography, Clofibrate,

相关文献及参考

  • Merck: 14,2377 Beilstein: 6,IV,851
  • Merck: 14,2377

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUE9480000
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。
  • 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。
  • 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。
  • P301+P312+P330
  • P305+P351+P338
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes 9
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R51/53
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • 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;
Storage condition 2-8°C 储存温度2-8°C
UN Number 3082
Packing GroupIII
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 gm/kg/72W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Gastrointestinal - tumors
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   39,3419,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1370 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   4,140,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/pa

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BAXXDU British UK Patent Application. (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2041937

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 1260 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Po

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   60,131,1987

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 50 gm/L
REFERENCE :
   TUMOAB Tumori.  (Casa Editrice Ambrosiana, Via G. Frua 6, 20146 Milan,
   Italy)  V.1-    1911-  Volume(issue)/page/year: 77,105,1991

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 100 pmol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1547,1984

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 100 umol/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 8,1433,1987

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    1932-  Volume(issue)/page/year:
   57,364,1988

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg/15D (Continuous)
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    193

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 31,1831,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3960 mg/kg
SEX/DURATION            : male 22 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 160,405,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 14 gm/kg
SEX/DURATION            : female 2 week(s) pre-mating  - 3 week(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 1300 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Resea

其他信息

  • 储运特性:通风低温干燥
  • 急性毒性:口服-大鼠 LD50: 940 毫克/公斤; 口服-小鼠 LD50: 1220 毫克/公斤
  • Acros Organics:氯贝丁酯 ethyl 2-(4-chlorophenoxy)-2-methylpropanoate(637-07-0)
  • 毒性分级:中毒
  • color:clear, colorless
  • Sigma Aldrich:637-07-0(sigmaaldrich)
  • 图谱信息:氯贝特(637-07-0)质谱(MS) 氯贝特(637-07-0)红外图谱(IR1)
  • 氯贝特价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0941 氯贝丁酯 Clofibrate 25G 344元 2014/06/02 C0941 氯贝丁酯 Clofibrate 500G 3200元 2010/06/21 RDP00167EB 氯贝特 ethyl 2-(4-chlorophenoxy)-2-methylpropanoate 25 GR 420元
  • 可燃性危险特性:可燃;燃烧产生有毒氯化物烟雾;病人用药副作用为:肌肉无力,肌肉痉挛,发烧
  • MOL 文件:637-07-0.mol
  • 用途一:用于脑血栓、脑动脉硬化、脑外伤后遗症、内耳眩晕症、冠状动脉硬化及由末梢循环不良引起的疾病
  • 上游原料:4-氨基苯酚 --> 肉桂醇 --> 4-氯苯氧异丁酸
  • MSDS 信息:Ethyl 2-(4-chlorophenoxy)-2-methylpropionate(637-07-0).msds
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • 用途三:降血脂药。能抑制胆固醇和甘油三酯的合成,增加固醇类的排泄,降低血中ULDL的含量,临床证明该品降甘油三酯作用较降胆醇作用明显,作用强时甘油三酯可降低30-40%,胆固醇可降低15-20%,适用于Ⅲ、Ⅳ、Ⅴ型高血酯症,对Ⅲ型尤佳,对部分Ⅱb型也有效,此外,该品能降低血浆纤维蛋白元的含量和血小板的粘性,因而,有利于防止血栓的形成,减少心肌梗塞的发病率,用于高酯血症及动脉硬化症等。服用该品个别病人有恶心、呕吐、食欲不振、腹胀、腹泻等症状。为了减少胃肠道反应,开始时宜采用小剂量,以后逐渐增量,但在治疗的第一个月应达到规定剂量。停药时最好也采用递减方法。肝肾功能不全者慎用。孕妇忌用。毒性:口服LD50小鼠1.28g/kg;大鼠1.65g/kg。
  • 方法一:按照采用的原料划分,该品合格路线主要有两条,一是以对氨基苯酚为原料经重氮化、置换制得对氯苯酚,再经缩合、水解,酸化生成对氯苯氧异丁酸,最后酯化得安妥明。这条路线步骤较长,所用原料对氨基酚不稳定,但比较成熟。二是以苯酚为原料,经缩合生成苯氧异丁酸,再于乙醇中通氯,进行氯化及酯化反应生成安妥明。
  • 用途二:主要用于治疗高脂蛋白血症
  • TCI Shanghai:2-(4-氯苯氧基)异丁酸乙酯 Clofibrate,>;95.0%(T)(637-07-0)

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