Hexachloro-2-propanone 六氯-2-丙酮

CAS 116-16-5 MFCD00000796

化学结构图

116-16-5
SMILES: O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

化学属性

Mol. FormulaC3Cl6O
Mol. Weight265
Refractive index1.5090 to 1.5130
Boiling Point202°C(lit.)
Density1.743 g/mL at 25 °C(lit.)
Melting Point-6--2 °C(lit.)
Flash Point>110°(230°F)
TSCAYes
Solubility略溶于水

别名和识别编码

Chemical NameHexachloro-2-propanone
Synonym 1,1,1,3,3,3-HEXACHLORO-2-PROPANONE 1,1,1,3,3,3-Hexachloro-2-propanone 1,1,1,3,3,3-Hexachloroacetone 1,1,1,3,3,3-Hexachloropropanone 1,1,1,3,3,3-hexachloro-2-propanon 1,1,1,3,3,3-hexachloro-propan-2-one 2-Propanone, 1,1,1,3,3,3-hexachloro- 2-Propanone, hexachloro- Acetone, hexachloro- Bis(trichloromethyl) ketone GC-1106 HCA HCA 六氯丙酮 HCA weedkiller HEXACHLORO-2-PROPANONE HEXACHLOROACETONE Hexachlor-2-propanon Hexachloraceton Hexachloro-2-propanone Hexachloro-2-propanone; Hexachloropropan-2-one Hexachloropropan-2-one Hexachloropropanone Kureha HCA PERCHLOROACETONE Perchloraceton Perchloro-2-propanone {Chemicalb
CAS Number116-16-5
PubChem Substance ID8303
EC Number204-129-5
Beilstein Registry Number1,657
MDL NumberMFCD00000796
Reaxys-RN1707475
Chemical Name Translation六氯-2-丙酮
Wiswesser Line NotationGXGGVXGGG
InChIInChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
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分类

  • {SNA} Aliphatic halogenated, Analytical Standards, Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks, 农残和代谢标准品, 分析/色谱, 灭草剂
  • {SNA} Aliphatic halogenated,
  • {SNA} Aliphatic halogenated, Analytical Standards, Analytical/Chromatography, Building Blocks, C3 to C6, Carbonyl Compounds,
  • {uni_hamburg} no charge; ketone; 1fragment
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Aliphatic halogenated, Analytical Standards, Analytica

相关文献及参考

  • Reagent for protection of amino groups as their N-trichloroacetyl derivatives under neutral conditions: J. Org. Chem., 35, 2423 (1970); Org. Synth. Coll., 5, 1074 (1973). The group can be cleaved with NaBH4 in ethanol: Chem. Ber., 103, 2437 (1970).
  • In combination with triphenylphosphine, converts primary and secondary allylic alcohols to their chlorides without isomerization: Tetrahedron Lett., 2999 (1977). Tertiary allylic alcohols do undergo allylic rearrangement to give the less substituted chloride: J. Org. Chem., 44, 359 (1979), but cyclopropyl carbinols are converted to their chlorides without rearrangement: J. Org. Chem., 49, 431 (1984). The method is also applicable to the mild conversion of carboxylic acids to acid chlorides: Tetrahedron Lett., 38, 6489 (1997); see also Trichloroacetonitrile, A10565.
  • With strong base, e.g. alkoxide, is a source of dichlorocarbene. For a review, see: Org. React., 13, 55 (1963).
  • Short: II/2
  • Beilstein:1,657

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn;N Xn,N
RTECSUC2100000
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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P301+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P311
  • P305+P351+P338+P337+P313
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning {} {} {TCI}
UN Number UN2661 2661 UN 2661 6.1/PG 3
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R51/53
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • 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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Packing GroupIII
Hazard Class6.1
Warnings 危化品目录(2015)
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 920 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: -,72,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 240 mg/kg
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: -,72,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2980 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DPAN "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel,"
   Perkow, W., Berlin, Verlag Paul Parey, 1971-1976  Volume(issue)/page/year:
   -,-,1971/1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCOC** Pesticide Chemicals Official Compendium, Association of the American
   Pesticide Control Officials, Inc., 1966.  (Topeka, KS)
   Volume(issue)/page/year: -,580,1966

TYPE OF TEST

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 10 mg/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            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 700 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,137,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ng/plate
REFERENCE :
   BECTA6 Bulletin of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   07094)  V.1-    1966-  Volume(issue)/page/year: 24,590,1980

Restrict 危险品

其他信息

  • 海关编码:29147090
  • 储运特性:库房通风低温干燥; 与食品原料分开储运
  • 类别:农药
  • 六氯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0335 六氯丙酮 Hexachloroacetone 500G 835元 2014/06/02 H0335 六氯丙酮 Hexachloroacetone 25G 104元 2010/05/25 B23259 六氯丙酮, 99% Hexachloroacetone, 99% 1kg 949元
  • 毒性分级:剧毒
  • Sigma Aldrich:116-16-5(sigmaaldrich)
  • 图谱信息:六氯丙酮(116-16-5)Raman光谱 六氯丙酮(116-16-5)质谱(MS) 六氯丙酮(116-16-5)核磁图( 13 CNMR) 六氯丙酮(116-16-5)红外图谱(IR2) 六氯丙酮(116-16-5)红外图谱(IR1)
  • MSDS 信息:六氯丙酮(116-16-5).msds
  • 六氯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 H0335 六氯丙酮 Hexachloroacetone 500G 981元 2011/04/16 H0335 六氯丙酮 Hexachloroacetone 25G 109元 2010/05/25 B23259 六氯丙酮, 99% Hexachloroacetone, 99% 1kg 949元
  • Alfa Aesar:六氯丙酮,99% Hexachloroacetone, 99%(116-16-5)
  • 外观性质:无色液体。
  • 职业标准:STEL 0.5 毫克/ 立方米
  • F:19
  • 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
  • 微溶于水,溶于丙酮。
  • MOL 文件:116-16-5.mol
  • 急性毒性:口服- 大鼠 LD50: 240 毫克/ 公斤
  • TCI Shanghai:六氯丙酮 Hexachloroacetone,>;98.0%(GC)(116-16-5)
  • 用途一:用于生产医药、农药中间体

系列性分类


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