2,2,2-Trichloroethanol 2,2,2-三氯乙醇

CAS 115-20-8 MFCD00004677

化学结构图

115-20-8
SMILES: OCC(Cl)(Cl)Cl

化学属性

Mol. FormulaC2H3Cl3O
Mol. Weight149.40
Refractive index1.4870 to 1.4920
Vapor Density5.16 (vs air)
Boiling Point152-154°C at 760 mmHg
Vapor Pressure1 mmHg ( 20 °C)
Density1.56
Melting Point17.8°C
Flash Point110°C
TSCAYes
Solubility与乙醇、乙醚互溶,在水中溶解度小。
Stability易吸潮

别名和识别编码

Chemical Name2,2,2-Trichloroethanol
MDL NumberMFCD00004677
CAS Number115-20-8
Synonym 2,2,2-Trichloroethanol {LY} 2,2,2-Trichloroethanol {} {LY} 2,2,2-Trichloroethanol {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,2-Trichloroethanol {} {} {} {}
PubChem Substance ID87576514
EC Number204-071-0
Beilstein Registry Number1697495
Merck Number9638
Chemical Name Translation2,2,2-三氯乙醇
Reaxys-RN1697495
Wiswesser Line NotationQ1XGGG
LabNetwork Molecule IDLN00194535
Canonical SMILESClC(Cl)(Cl)CO
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分类

  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Alcohols, Building Blocks, C2 to C6, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

产品应用

  • 用于有机合成、药物中间体。

相关文献及参考

  • Reaction with POCl3 to give the phosphorodichloridate, followed by reaction with 3-Hydroxypropionitrile, L12570, gives 2-cyanoethyl 2,2,2-trichloroethyl phosphorochloridate, a valuable reagent, usually used without purification, for the phosphorylation of nucleosides: Synthesis, 831 (1980).
  • Reaction with POCl3 to give the phosphorodichloridate, followed by reaction with 3-Hydroxypropionitrile, L12570, gives 2-cyanoethyl 2,2,2-trichloroethyl phosphorochloridate, a valuab
  • Short: III/38B
  • Short: EINECS
  • Carboxyl groups can be protected as their trichloroethyl esters e.g. by tosic acid-catalyzed esterification: Synthesis, 24 (1979), or DCC-DMAP: J. Am. Chem. Soc., 111, 669 (1989). For esterification of amino acids, using the active ester with 2-Hydroxypyridine, A14522, see: Synthesis, 24 (1979). Cleavage occurs with Zn in AcOH or an aqueous THF buffer under mild conditions: J. Am. Chem. Soc., 88, 852 (1966); Synthesis, 457 (1976); or with NaBH4 in DMF, catalyzed by Se: Synthesis, 693 (1989). See also Appendix 6.
  • Merck:14,9638 Beilstein:1,338
  • Similarly, carbonyl compounds can be protected as their trichloroethyl acetals, stable to base, but readily cleaved under neutral aprotic conditions by Zn in ethyl acetate or THF: J. Org. Chem., 38, 554 (1973).
  • Merck:14,9638

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSKM3850000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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+P330+P331
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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;
  • S36/37/39 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;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
Storage condition 2-8°C {LY} 2-8°C Hygroscopic {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Codes Xn
UN Number 1760
Packing GroupIII
Hazard Class8
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   CRAAA7 Current Researches in Anesthesia and Analgesia.  (Cleveland, OH)
   V.1-35, 1922-56.  For publisher information, see AACRAT.
   Volume(issue)/page/year: 17,258,1938

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Rectal
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   CRAAA7 Current Researches in Anesthesia and Analgesia.  (Cleveland, OH)
   V.1-35, 1922-56.  For publisher information, see AACRAT.
   Volume(issue)/page/year: 17,258,1938

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 63,453,1938

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   CRAAA7 Current Researches in Anesthesia and Analgesia.  (Cleveland, OH)
   V.1-35, 1922-56.  For publisher information, see

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 7750 ug/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   30,9,1980

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 178 gm/L
REFERENCE :
   TOERD9 Toxicological European Research.  (S.P.E., 10, Ave. de Messine, 75008
   Paris, France) V.1-    1978-  Volume(issue)/page/year: 3,63,1981

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 10240 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 155,105,1985

其他信息

  • 无色液体。能与醇、醚混溶,溶于水,水溶液pH为5-6。易吸湿,有醚的气味。
  • 蒸气压:1 mm Hg ( 20 °C)
  • 毒性LD50(mg/kg):小鼠静脉注射LD50为201。
  • 用途一:用作医药中间体
  • 上游原料:三氯乙醛
  • 蒸气密度:5.16 (vs air)
  • 图谱信息:2,2,2-三氯乙醇(115-20-8)核磁图( 13 CNMR) 2,2,2-三氯乙醇(115-20-8)红外图谱(IR1) 2,2,2-三氯乙醇(115-20-8)质谱(MS) 2,2,2-三氯乙醇(115-20-8)核磁图( 1 HNMR) 2,2,2-三氯乙醇(115-20-8)Raman光谱
  • 用途三:2,2,2-三氯乙醇(115-20-8)是苯甘头孢菌素的原料,羧(酸)基的保护基团。
  • 方法一:由三氯乙醛还原而得。
  • Acros Organics:2,2,2-三氯乙醇 2,2,2-Trichloroethanol, 99%(115-20-8)
  • 外观形状:无色透明液体,菱形片状结晶(低温),或吸湿性液体。有醚样嗅味。
  • Alfa Aesar:2,2,2-三氯乙醇,98% 2,2,2-Trichloroethanol, 99%(115-20-8)
  • 用途二:用于有机合成、药物中间体。
  • F:3-21
  • 敏感性:Hygroscopic
  • TCI Shanghai:2,2,2-三氯乙醇 2,2,2-Trichloroethanol,>;98.0%(GC)(115-20-8)
  • 下游产品:氯甲酸-2,2,2-三氯乙酯 --> 对乙基苯甲酸 --> 3-甲基-8-氧代-7-(2-苯乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-乙羧酸-2,2,2-三氯乙酯
  • MOL 文件:115-20-8.mol
  • Sigma Aldrich:115-20-8(sigmaaldrich)
  • 2,2,2-三氯乙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010350 2,2,2-三氯乙醇 100ml 400元 2011/04/16 T0622 2,2,2-三氯乙醇 2,2,2-Trichloroethanol 25G 196元 2011/04/16 T0622 2,2,2-三氯乙醇 2,2,2-Trichloroethanol 500G 1130元
  • 海关编码:29055910
  • MSDS 信息:Trichloroethanol(115-20-8).msds

系列性分类