Hexamethyleneimine 六亚甲基亚胺

CAS 111-49-9 MFCD00006934

化学结构图

111-49-9
SMILES: C1CCCNCC1

化学属性

Mol. FormulaC6H13N
Mol. Weight99.17
Refractive index1.4640 to 1.4680
Boiling Point-
Density0.88
Vapor Pressure7.4 mmHg ( 21.1 °C)
Flash Point-
TSCAYes
Melting Point-37
Solubility可溶

别名和识别编码

Chemical NameHexamethyleneimine
CAS Number111-49-9
Synonym 0402 1-Azacycloheptane 1-aza-cycloheptan 1H-hexahydroazepine Azacycloheptane Azepine, hexahydro- B类剧毒,限出口. G 0 HEXAHYDRO-1H-AZEPINE HEXAMETHYLENE IMINE (HMI) HEXAMETHYLENIMINE HOMOPIPERIDINE Hexahydroazapine Hexahydroazepine Hexamethyleneimine Hexamethylenimine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87570540
EC Number 203-875-9
Beilstein Registry Number1084
MDL Number-
Chemical Name Translation六亚甲基亚胺
Wiswesser Line NotationT7MTJ
LabNetwork Molecule IDLN00194464
Reaxys-RN1084
Canonical SMILES-
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分类

  • {SA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Homopiperidines
  • Heterocycles
  • Impurities
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; large ring; 7ring; 1fragment

产品应用

  • A degradation product of herbicide Molinate in pot soil and rice plants.

相关文献及参考

  • Kriek, E., et al.: Biochemistry, 6, 177 (1967),
  • Farmer, P., et al.: Toxicol. Lett., 149, 3 (2004),
  • Gyorffy, E., et al.: Carcinogenesis, 25, 1201 (2004),
  • Short: IV/10A Title: Heats of Mixing and Solution: Binary Liquid Systems of Nonelectrolytes Author: Grolier, J.-P.E.; Wormald, C.J.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H.V. Editor: Kehiaian; H.V. Source: Landolt-Börnstein, New Series Volume: IV/10A Year: 2004 Keyword: Nitrogen Containing; Organic Compounds; Pressure; Vapor; Vapor Pressure ISBN: 3-540-60347-6 ISBN: 978-3-540-60347-4 Internet Resource: DOI: 10.1007/b56530 RefComment: IX, 564 p. 816 illus., Hardcover RefComment: Written for scientists and engineers in the field of physical chemistry, organic chemistry, applied chemistry Abstract: This subvolume containes selected data on heats of mixing (excess enthalpies) of binary liquid mixtures of organic and inorganic nonelectrolytes, including aqueous-organic systems, in broad ranges of temperature, pressure, and composition. All the data are extracted from the original literature published from 1957 to 2003. The printed volume presents tables for 800 representative mixtures. The CD-ROM displays all these data, as well as 2853 additional data files, in PDF format and in a fully documented computer readable standard electronic file (SELF) format. Moreover, the ELBT-program allows the fast search of data according to property type, chemical system (substances and mixtures), author(s), source and year of publication. Moreover it allows the correlation of the numerical data with several equations and the display of the original data and of the correlated data in tabular and graphical form.
  • Short: IV/13A1 Title: Vapor-Liquid Equilibrium in Mixtures and Solutions. Binary Liquid Systems of Nonelectrolytes. Part 1 Author: Wichterle, I.; Linek, J.; Wagner, Z.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V. Editor: Kehiaian, H.V. Source: Land

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H300 Fatal if swallowed 吞食致命
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECS CM3150000
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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。
  • 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+P310
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 2493 UN 2493 3/PG 2 UN2493
Risk Statements
  • R000911
  • R10 Flammable 易燃
  • R11 Highly flammable 非常易燃
  • R20 Harmful by inhalation 吸入有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R25 Toxic if swallowed 吞咽有毒
  • R28 Very toxic if swallowed 吞咽极毒
  • R34 Causes burns 会导致灼伤
Safety Statements
  • S1 Keep locked up 上锁;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • 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;
  • 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);
Hazard Codes 8 F,T F;T+ T,T+,F
Hazard Class3/8
Storage condition N/A N/A℃ No Data Available Poison room
Restrict {} {} 剧毒化学品 危险品
Warnings 危化品目录(2015)
T

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1260 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: OTS0539976

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 33300 mg/m3/30M
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - pulmonary emboli
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534842

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 20700 ug/kg
TOXIC EFFECTS :
   Behavioral - food intake (animal)
   Lungs, Thorax, or Respiration - pulmonary emboli
   Liver - other changes
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page

{hazar

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-

其他信息

  • 储运特性:库房通风低温干燥; 与酸, 氧化剂分开储运存放
  • 图谱信息:环己亚胺(111-49-9)核磁图( 1 HNMR) 环己亚胺(111-49-9)红外图谱(IR1) 环己亚胺(111-49-9)质谱(MS) 环己亚胺(111-49-9)核磁图( 13 CNMR)
  • 方法一:1.1,6-己二胺法1,6-己二胺经脱氨基和环化制得。2.己内酰胺法。
  • 蒸气压:7.4 mm Hg ( 21.1 °C)
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 用途一:用作农药中间体
  • 可燃性危险特性:易燃; 受热分解有毒胺蒸气
  • 爆炸物危险特性:与空气混合可爆
  • 上游原料:氢 --> 1,6-己内酰胺 --> 1,6-已烷二胺
  • Acros Organics:六亚甲基亚胺 Hexamethyleneimine, 99%(111-49-9)
  • 环己亚胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L0790601 六亚甲基亚胺98%(剧毒) 100ml 215元 2010/06/21 120590050 环己亚胺 Hexamethyleneimine 99% 5 ML 94元 2010/06/21 120595000 环己亚胺 Hexamethyleneimine 99% 500 ML 305元
  • Sigma Aldrich:111-49-9(sigmaaldrich)
  • 类别:易燃液体
  • Alfa Aesar:环亚胺己烷,98+% Hexamethyleneimine, 98+%(111-49-9)
  • 下游产品:噻奈普汀 --> 夸西泮 --> 溴替唑仑 --> 盐酸丙咪嗪
  • 职业标准:STEL 0.5 毫克/立方米
  • 外观性质:无色至微黄色液体, 具有氨气味。
  • 毒性分级:高毒
  • MSDS 信息:六亚甲基亚胺(111-49-9).msds
  • 急性毒性:口服-大鼠 LD50: 410 毫克/公斤; 吸入-小鼠 LC50:10.8 克/立方米/2小时
  • MOL 文件:111-49-9.mol
  • 用途二:本品是医药、农药中间体。在医药方面用于制青霉素等;在农药方面用于合成除草剂、杀菌剂;还用于橡胶硫化剂、照相药剂、防锈剂、树脂添加剂等。

系列性分类