1,1,3-Trichloroacetone 1,1,3-三氯丙酮

CAS 921-03-9 MFCD00040500

化学结构图

921-03-9
SMILES: O=C(CCl)C(Cl)Cl

化学属性

Mol. FormulaC3H3Cl3O
Mol. Weight161.41
Boiling Point88-90 °C at 76 mmHg
Density1.512 g/mL at 20 °C(lit.)
Melting Point9-11 °C
Refractive index1.4880 to 1.4940
Flash Point80°C(lit.)
Appearance 无色液体。沸点172℃,62℃(1.33kPa)。纯度80-90%工业品的熔点9-11℃,相对密度(20/4℃)1.527,折光率(nD20)1.491。
pH:A

别名和识别编码

Chemical Name1,1,3-Trichloroacetone
Synonym 1,1,3-Trichloroacetone {LY} 1,1,3-Trichloroacetone {} {LY} 1,1,3-Trichloroacetone {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1,3-Trichloroacetone {} {} {} {} {} {} {} {} {}
CAS Number921-03-9
PubChem Substance ID13530
Beilstein Registry Number1746647
MDL NumberMFCD00040500
EC Number202-131-0
Chemical Name Translation1,1,3-三氯丙酮
Reaxys-RN1746647
Wiswesser Line NotationGYGVYGG
LabNetwork Molecule IDLN00241559
InChIInChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2
Canonical SMILESO=C(C(Cl)Cl)CCl
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分类

  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 1 ,IV,3221

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H301+H311
  • H330 Fatal if inhaled 吸入致命
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T+,N Xn
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P304+P340+P310
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P403+P233
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
Signal word Danger
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R26 Very toxic by inhalation 吸入极毒
  • R50/53
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
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;
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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);
  • 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;
Packing GroupIII
Hazard Class6.1/8
UN Number 3390 UN 3390 6.1/PG 1
RTECSUC3840000
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 360 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,113,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 390 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,113,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,163,1985

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 300 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 341,1,1994

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 2 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 341,1,1994

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 155,53,1985

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1500 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 206,431,1988

Storage condition 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 1,1,3-三氯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1019 1,1,3-三氯丙酮 1,1,3-Trichloroacetone 25G 416元
  • 图谱信息:1,1,3-三氯丙酮(921-03-9)核磁图( 13 CNMR) 1,1,3-三氯丙酮(921-03-9)质谱(MS) 1,1,3-三氯丙酮(921-03-9)Raman光谱 1,1,3-三氯丙酮(921-03-9)核磁图( 1 HNMR) 1,1,3-三氯丙酮(921-03-9)红外图谱(IR1)
  • 方法一:丙酮经氯化而得。
  • 用途一:抗贫血药叶酸(维生素Bc)的原料。
  • 下游产品:1,1-二苯基丙酮 --> 叶酸
  • TCI Shanghai:1,1,3-三氯丙酮 1,1,3-Trichloroacetone,>;84.0%(GC)(921-03-9)
  • MOL 文件:921-03-9.mol
  • Sigma Aldrich:921-03-9(sigmaaldrich)

系列性分类


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