Cyclohexanoneoxime(Chunks or pellets) 环己酮肟(Chunks or pellets)

CAS 100-64-1 MFCD00001660

化学结构图

100-64-1
SMILES: ON=C1CCCCC1

化学属性

Mol. FormulaC6H11NO
Mol. Weight113
Boiling Point201-210
Melting Point86-89
Flash Point103°(217°F)
TSCAYes
Density1.1
Solubility<0.1 G/100 ML AT 20 ºC
Appearance 白色棱柱状晶体。熔点89-90℃,沸点206-210℃。溶于水、乙醇、醚、甲醇。

别名和识别编码

Chemical NameCyclohexanoneoxime(Chunks or pellets)
CAS Number100-64-1
PubChem Substance ID7517
EC Number202-874-0
Beilstein Registry Number1616769
MDL NumberMFCD00001660
Reaxys-RN1616769
Synonym 环己酮肟 Cyclohexanonoxim N-Cyclohexylidenehydroxylamine CYCLOHEXANONE OXIME LABOTEST-BB LT00853999 Cyclohexanon-oxime (Hydroxyimino)cyclohexane Cyclohexanone, oxime CHO HYDROXYIMINOCYCLOHEXANE AKOS BBS-00004405 2H-1-Benzopyran-2-one, 7-amino-4-(trifluoromethyl)- Antioxidant D CYCLOHEXAN-1-ONE OXIME 环已酮肟 Cylohexanone oxime Cyclohexanone oxium CCYLOHEXANONE OXIME cyclohexanone oxime CYCLOHEXANONE OXIME RAW Cyclohexane-1-oneoxime
Alfabeta NameCYCLOHEXANONEOXIME
Chemical Name Translation环己酮肟(Chunks or pellets)
Wiswesser Line NotationL6YTJ AUNQ
LabNetwork Molecule IDLN00220591
InChIInChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; 1fragment
  • Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: II/27B
  • Can be converted to nitrocyclohexane either indirectly via the chloronitroso intermediate, or in one step using sodium perborate in acetic acid: Synlett, 337 (1992).
  • Beilstein:7,10
  • Reacts with dimethyl carbonate to give a 4-oxazolin-2-one derivative: J. Org. Chem., 58, 5765 (1993):

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
RTECSGW1925000
Signal word Warning
Precautionary statements
  • 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+P312+P330
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Warnings IRRITANT
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - smooth muscle relaxant (mechanism undefined,
   spasmolytic)
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 12,227,1978

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,26,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
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 & Technical Information.
   Volume(issue)/page/year: AD691-490

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 1938 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 204,149,1988

其他信息

  • 用途一:用于有机合成
  • MOL 文件:100-64-1.mol
  • 溶于水、乙醇、醚、甲醇,水溶性<0.1g/100mL(20℃)。
  • 环己烷氧化法制备己内酰胺:己内酰胺是一种重要的有机原料,可用作制造聚己内酰胺树脂、聚己内酰胺纤维、人造革、塑料、工程塑料、高分子溶剂、涂料,也用作增塑剂、医药原料、合成赖氨酸原料等。 环己烷氧化法最初是由一家美国公司发明,1941年转让给德国法本公司,1943年工业化生产。以苯为原料,在镍催化剂作用下加氢,生成环己烷,然后在钴催化剂作用下,于140~180℃、1~2.5MPa下用空气氧化环己烷,生成环己醇和环己酮的混合物,二者之比为6040,将混合物中的环己醇分离出来,催化脱氢,生成环己酮,合并二部分环己酮,在110℃时于硫酸中与羟胺进行肟化反应,生成环己酮肟,在100℃时环己酮肟在浓硫酸中进行贝克曼分子重排,生成粗制己内酰胺,反应产物中的硫酸用氨中和,生成副产品硫酸铵,粗制己内酰胺用三氯乙烯萃取,再减压精馏、浓缩、重结晶,进行精制。本法如果用空气氧化时,是在硼酸存在下进行,环己醇与环己酮的比可达90:10。
  • Sigma Aldrich:100-64-1(sigmaaldrich)
  • 方法一:环己酮肟是己内酰胺生产过程中的中间产物。
  • Acros Organics:环已酮肟 Cyclohexanone oxime, 97%(100-64-1)
  • TCI Shanghai:环己酮肟 Cyclohexanone Oxime,>;98.0%(GC)(100-64-1)
  • 下游产品:硫酸铵 --> 1,6-己内酰胺 --> DL-氨基己内酰胺
  • 环己酮肟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0490 环己酮肟 Cyclohexanone Oxime 25G 124元 2014/06/02 C0490 环己酮肟 Cyclohexanone Oxime 500G 630元 2010/06/21 111200025 环己酮肟 Cyclohexanone oxime 97% 2.5 KG 2046元
  • Alfa Aesar:环己酮肟,97% Cyclohexanone oxime, 97%(100-64-1)
  • 海关编码:29280090
  • 上游原料:1,6-己内酰胺
  • MSDS 信息:Antioxidant D(100-64-1).msds
  • 图谱信息:环己酮肟(100-64-1)红外图谱(IR2) 环己酮肟(100-64-1)核磁图( 13 CNMR) 环己酮肟(100-64-1)红外图谱(IR1) 环己酮肟(100-64-1)核磁图( 1 HNMR) 环己酮肟(100-64-1)Raman光谱 环己酮肟(100-64-1)质谱(MS)

系列性分类


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