Suberodinitrile 1,6-二氰基己烷

CAS 629-40-3 MFCD00001981

化学结构图

629-40-3
SMILES: N#CCCCCCCC#N

化学属性

Mol. FormulaC8H12N2
Mol. Weight136
Density0.954 g/mL at 25 °C(lit.)
Refractive index1.4430 to 1.4460
Flash Point161°C(lit.)
TSCAYes
Boiling Point172°C/11mmHg(lit.)
Melting Point-3.5 °C (lit.)
Solubility1.2 G/100 ML

别名和识别编码

Chemical NameSuberodinitrile
Synonym 1,8-Octanedinitrile; Suberonitrile 6-二氰基戊烷 1,6-二氰己烷 1 1, NSC 51242 nsc51242 1,6-DICYANOHEXANE Suberic acid, dinitrile 1,8-辛二腈 HEXANE-1,6-DICARBOXYLIC ACID DINITRILE OCTANEDIOIC ACID DINITRILE korksaeuredinitril 1,6-二氰基戊烷 Hexane-1,6-dicyanide 六亚甲基二氰 Hexamethylenedinitrile 1,6-Dicyanohexane OCTAMETHYLENE DINITRILE Hexamethylene dicyanide, Octanedinitrile Korksäuredinitril 二氰己烷 六亚甲基二氰 辛二腈 octanedinitrile subericaciddinitrile Suberic acid dinitrile 1,6-二氰基己烷 辛二腈 Octanedinitrile 1,8-Octanedinitrile Korksaeuredinitril
MDL NumberMFCD00001981
CAS Number629-40-3
EC Number211-089-2
Beilstein Registry Number2,694
PubChem Substance ID87575822
Chemical Name Translation1,6-二氰基己烷
Reaxys-RN1744365
Wiswesser Line NotationNC6CN
LabNetwork Molecule IDLN00226597
InChIInChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2
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分类

  • {uni_hamburg} no charge; 1fragment
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用于有机合成。

相关文献及参考

  • Beilstein:2,694
  • Short: EINECS
  • Short: III/38B
  • Short: IV/16
  • Short: IV/20C

安全信息

RTECSWM2131000
Packing GroupIII
UN Number UN3276 UN 3276 6.1/PG 2 3276
Risk Statements
  • 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
  • R25 Toxic if swallowed 吞咽有毒
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);
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • 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;
GHS Symbol
WGK Germany1
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • 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。
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Signal word Danger
Hazard Codes T
Hazard Class6.1
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 307 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   57,88,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of

其他信息

  • 图谱信息:1,6-二氰基己烷(629-40-3)核磁图( 13 CNMR) 1,6-二氰基己烷(629-40-3)红外图谱(IR1) 1,6-二氰基己烷(629-40-3)核磁图( 1 HNMR) 1,6-二氰基己烷(629-40-3)质谱(MS) 1,6-二氰基己烷(629-40-3)红外图谱(IR2)
  • Acros Organics:1,6-二氰基己烷 1,6-Dicyanohexane, 99%(629-40-3)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 1,6-二氰基己烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0298 辛二腈 Suberonitrile 500G 3250元 2014/06/02 S0298 辛二腈 Suberonitrile 25G 338元 2010/06/21 113861000 1,6-二氰基己烷 1,6-Dicyanohexane 99% 100 ML 861元
  • 用途一:用于有机合成。
  • Sigma Aldrich:629-40-3(sigmaaldrich)
  • MOL 文件:629-40-3.mol
  • 类别:有毒物品
  • TCI Shanghai:辛二腈 Suberonitrile,>;98.0%(GC)(629-40-3)
  • 海关编码:29269095
  • Alfa Aesar:1,6-二氰基己烷,99% 1,6-Dicyanohexane, 99%(629-40-3)
  • 上游原料:二甲基亚砜 --> 1,6-二溴己烷
  • 可燃性危险特性:遇明火可燃; 燃烧产生有毒氮氧化物
  • MSDS 信息:1,6-二氰基己烷(629-40-3).msds
  • 灭火剂:二氧化碳、泡沫、砂土、干粉
  • 溶于氯仿。
  • 急性毒性:口服-大鼠LD50:150 毫克/公斤;口服-小鼠 LD50: 307 毫克/公斤
  • 外观性质:无色至淡黄色液体。
  • 毒性分级:高毒
  • 方法一:由1,6-二溴已烷与氰化钠反应而得。将烘烤过的氰化钠粉末和无水二甲基亚砜搅拌混合,加热至60℃。滴加完毕,升温至90℃,继续搅拌约半小时,将混合物冷至30℃,加入氯仿后倒入饱合氯化钠溶液中,加水至无机盐恰好全溶,分出有机相,水相用氯仿提取一次。将提取液和有机相合并,用饱和氯化钠溶液洗两次。经无水硫酸镁干燥后,先回收氯仿,再减压蒸馏,收集184-186℃(2.0kPa)馏分,即为辛二腈。

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