2-Chlorocyclohexanone 2-氯环己酮

CAS 822-87-7 MFCD00001626

化学结构图

822-87-7
SMILES: O=C1CCCCC1Cl

化学属性

Mol. FormulaC6H9ClO
Mol. Weight132.59
Density1.161
Refractive index1.4820 to 1.4860
Boiling Point82-83 °C at 10 mmHg
Melting Point23°C
Flash Point82°C
TSCAYes

别名和识别编码

Chemical Name2-Chlorocyclohexanone
Synonym 2-Chlorocyclohexanone {LY} 2-Chlorocyclohexanone {} {LY} 2-Chlorocyclohexanone {} {} {LY} 2-Chlorocyclohexanone {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorocyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlo
CAS Number822-87-7
EC Number212-505-5
Beilstein Registry Number774100
MDL NumberMFCD00001626
PubChem Substance ID13203
Reaxys-RN774100
Chemical Name Translation2-氯环己酮
Wiswesser Line NotationL6VTJ BG
LabNetwork Molecule IDLN00214180
InChIInChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
Canonical SMILESO=C1C(Cl)CCCC1
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: II/25D
  • Beilstein:7,10
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • 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。
  • 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。
  • 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。
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSGW1225000
Hazard Codes Xi
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture 2-8°C <0°C <;0 Store at room temperature {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 830 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - coma
   Behavioral - analgesia
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 254,2683,1962

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 370 nmol/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   45,305,1983

其他信息

  • 图谱信息:2-氯环己酮(822-87-7)核磁图( 13 CNMR) 2-氯环己酮(822-87-7)质谱(MS) 2-氯环己酮(822-87-7)红外图谱(IR1)
  • TCI Shanghai:2-氯环己酮(含稳定剂氢醌) 2-Chlorocyclohexanone (stabilized with HQ),>;95.0%(GC)(822-87-7)
  • 可燃性危险特性:可燃; 热分解排出有毒氯化物烟雾
  • 类别:有毒物质
  • Acros Organics:2-氯环己酮 2-Chlorocyclohexanone, stabilized, 95%(822-87-7)
  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • 2-氯环己酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0965 2-氯环己酮(含稳定剂HQ) 2-Chlorocyclohexanone (stabilized with HQ) 25G 714元 2010/06/21 108960050 2-氯环己酮 2-Chlorocyclohexanone 95%, stabilized 5 GR 278元 2010/06/21 108961000 2-氯环己酮 2-Chlorocyclohexanone 95%, stabilized 100 GR 2294元
  • color:colorless to very deep brown
  • 用途一:有机合成中间体。
  • Alfa Aesar:2-氯环己酮,97%,stab.withcalciumcarbonate/magnesiumoxide 2-Chlorocyclohexanone, 97%, stab. with calcium carbonate/magnesium oxide(822-87-7)
  • F:10-19
  • 上游原料:环己酮
  • Sigma Aldrich:822-87-7(sigmaaldrich)
  • MSDS 信息:2-Chlorocyclohexanone(822-87-7).msds
  • 灭火剂:雾水,二氧化碳, 泡沫, 干粉
  • 方法一:由环己酮经氯化而得。将氯气通入环己酮水溶液进行氯化，反应结束后分出2-氯环己酮液层，水层用乙醚提取。提取液与氯环己酮液层合并，先用水洗，再用氯化钠饱和溶液洗，以无水硫酸钠干燥。过滤后蒸去乙醚，再进行减压蒸馏，收集2-氯环己酮馏分。
  • 急性毒性:腹腔-小鼠 LD50: 830 毫克/公斤
  • MOL 文件:822-87-7.mol

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
  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 - 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

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