Chloroacetone 氯丙酮

CAS 78-95-5 MFCD00000936

化学结构图

78-95-5
SMILES: CC(=O)CCl

化学属性

Mol. FormulaC3H5ClO
Mol. Weight92.53
Refractive indexn20/D 1.432(lit.)
Boiling Point120 °C(lit.)
Density1.162 g/mL at 25 °C(lit.)
Melting Point-45°
Flash Point40°(104°F)
TSCAYes
Solubility124 G/L (20 ºC)
pH:A

别名和识别编码

Chemical NameChloroacetone
Synonym 2-chloroacetone 1-氯-2-丙酮 Acetonyl chloride Acetone, chloro- Monochloracetone 1-Chloro-2-oxopropane 3-Chloro-2-propanone 2-Propanone,1-chloro- 氯代丙酮 一氯(代)丙酮 A-Stoff 1-chloro-2-ketopropane 1-chloro-2-propanone 1-CHLORO-2-PROPANONE Chloromethyl methyl ketone 2-Propanone, chloro- MONOCHLOROACETONE 2-propanone,1-chloro-[qr] chloropropanone chloro-acetone 氯(醛)丙酮 Methyl chloromethyl ketone Tonite chloraceton ACETONYL CHLORIDE Monochloroacetone Chloroacetone CHLOROACETONE 1-Chloropropanone chloro-2-propanone 1-Chlor-2-propanon 氯丙酮 2-Propanone, 1-chloro- 1-chloro-propan-2-one 1-chloro-2-oxopropane[qr] Chloropropanone 1-chloroacetone[qr] a-Chloroacetone α-Chloroacetone Chloracetone 1-chloro-2-ketopropane[qr] 氯丙酮, 95%, 0.1%环氧大豆油作稳定剂 1-chloro-2-propanon 氯丙酮(0311禁空运) AKOS BBS-00004082 一氯丙酮 1-Chloro-2-ketopropane chloroacetone 1-CHLOROPROPAN-2-ONE MCA 1-Chloroacetone CHLORO-2-PROPANONE Chloro-2-propanone 1-chloro-2-oxopropane 1-Chloro-2-propanone
CAS Number78-95-5
PubChem Substance ID24846855
EC Number201-161-1
Beilstein Registry Number0605369
MDL NumberMFCD00000936
Merck Number14,2114
Chemical Name Translation氯丙酮
Wiswesser Line NotationG1V1
LabNetwork Molecule IDLN00226213
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 其他杀虫剂
  • Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Merck 14 ,2114
  • Beil. 1 ,IV,3215
  • Aldrich MSDS 1 , 366:B / Corp MSDS 1 (1), 727:C / FT-IR 1 (1), 416:D / FT-IR 2 (1), 654:B / FT-NMR 1 (1), 648:C / IR-Spectra (2), 221:C / IR-Spectra (3), 247:F / RegBook 1 (1), 457:A / Sax 6 , 676 / Structure Index 1 , 65:C:3 / Vapor Phase 3 , 503:A
  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic suscep

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H310+H330
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T+,N T+,N,T,F,Xi T+;N
RTECSUC0700000
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P350
  • 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。
  • 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。
Signal word Danger
UN Number UN1695 UN 1695 6.1/PG 1 1695
Risk Statements
  • R26 Very toxic by inhalation 吸入极毒
  • R50/53
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R34 Causes burns 会导致灼伤
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • 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；
  • 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；
Packing GroupI
Hazard Class6.1
Storage condition 2-8°C
Restrict {} 剧毒化学品 危险品
Warnings 危化品目录(2015) 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 262 ppm/1H
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Skin and Appendages - hair
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   47,375,1986

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 605 ppm/10M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Te

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 92 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 33,695,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 141 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Skin and Appendages - hair
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   47,375,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6 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            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 100 pph/6M
REFERENCE :
   PREBA3 Proceedings of the Royal Society of Edinburgh, Section B. (Edinburgh,
   Scotland, UK) V.61-74, 1943-74.  Volume(issue)/page/year: 62,284,1946/1947

其他信息

  • 概述:分子式C3H5ClO。分子量92.53。纯品为无色液体。属脂肪酮类化合物，氯丙酮有极强的刺激性气味及催泪性，主要刺激人的眼睛，浓度18毫克/米3时使人流泪，浓度100毫克/米3时人便不能忍受。第一次世界大战时法国军队曾使用。光照下颜色变暗并树脂化。熔点-44.5℃，沸点119℃(1.0×105Pa)，相对密度1.15。混溶于醇、醚和氯仿，溶于10份水。可随水蒸气挥发，与多种有机溶剂形成二元恒沸物。与异丙醇铝和异丙醇反应15小时，83%被还原，7%脱氯;与氯共热可得三氯丙酮、五氯丙酮或六氯丙酮，在乙醚中与重氮甲烷反应得1-甲基-1-氯甲基环氧乙烷。 制法：由丙酮气相氯化，或由二乙烯酮与氯的反应产物同水共沸而得。 用途：因分子中含有活泼性的酮基及氯原子，广泛用于有机合成原料、制药、染料、酶激活剂，制备四乙基铅的催化剂、催泪性毒气等。
  • 方法一:氯丙酮的合成方法较多，丙酮氯化法是目前国内生产上采用的一种主要方法，由丙酮在缚酸剂碳酸钙存在下氯化得到氯丙酮。反应方程式：CH 3 COCH 3 [C
  • 1,3-二氯丙酮:1,3-二氯丙酮又称对称二氯丙酮、双(氯甲基)甲酮。针状或棱柱状无色结晶。相对分子质量126.97。相对密度1.3826 (46℃)。熔点45℃。沸点173.4℃、86～88℃ (1.600×103Pa)。折射率1.4714(46℃)。闪点 89℃。溶于水、乙醇和乙醚。有催泪性，刺激皮肤且有腐烂性。 【用途】有机合成中间体;抗真菌药“氟康唑” 的原料。 【制备方法】 (1) 丙酮直接氯化，可制得1,3-二氯丙酮。但产生副产物一氯丙酮和三氯丙酮，使收率降低，且分离困难。 (2) 1，3-二氯-2-丙醇氧化，这是工业上普遍采用的方法。将1，3-二氯-2-丙醇在低温下加入到重铬酸钠的水溶液中，在搅拌下，慢慢滴加硫酸，控制温度不超过26℃，不低于 24℃。在26℃反应6h可完成，收率达80%。如果在25℃下反应，需24h，收率为68%。获得粗品后，依次用冰水、石油醚洗涤，减压蒸馏，可制得本品。反应温度不得超过26℃，否则收率会显著下降，也不得低于24℃，否则反应太慢。反应时间不宜超过6h，否则收率也会降低。
  • 上游原料:丙酮 --> 碳酸钙 --> 氯酸钾 --> 氰尿酸
  • 毒性分级:高毒
  • 方法二:1.丙酮氯化法　丙酮和碳酸钙搅拌形成浆状，加热回流，停止加热后通入氯气，约3-4小时后，加水使生成的氯化钙溶解，反应液分成两层，收集油层，然后精制，得成品。2.丙酮非氯气氯化法　以丙酮为原料，由氯酸钾等氧化剂与氯化氢反应分解产生的氯气氯化而得。3.氯代三聚氰酸法　以三氯三聚氰酸为卤化剂，以硫酸水溶液为催化剂，对丙酮进行氯化反应而得。该工艺是国外90年代初的工艺，其合成方法简便，产品含量高。
  • 氯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 173470050 氯丙酮 Chloroacetone 96%, stabilized 5 LT 6449元 2010/06/21 173472500 氯丙酮 Chloroacetone 96%, stabilized 250 ML 672元 2010/06/21 173470010 氯丙酮 Chloroacetone 96%, stabilized 1 LT 1771元
  • 爆炸物危险特性:存放日久可爆炸
  • 外观性质:无色液体, 有刺激性气味。
  • Alfa Aesar:氯丙酮,95%,0.1%环氧大豆油作稳定剂 Chloroacetone, 95%, stab. with 0.1% epoxidized soybean oil(78-95-5)
  • F:8-19
  • 用途二:氯丙酮又名一氯丙酮，是一种有机合成原料，在农药上是三嗪酮类杀虫剂吡嗪酮的中间体，在其他方面可用于医药、染料、香料、抗氧剂、干燥剂、乙烯型感光树脂、彩色电影胶片偶联剂等的生产。
  • MOL 文件:78-95-5.mol
  • 类别:易燃液体
  • 可燃性危险特性:遇热
  • 用途一:用于有机合成，制备药物、杀虫剂、香料和染料等
  • MSDS 信息:氯丙酮(78-95-5).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C3 to C6 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C15 to C38