1,4-Dicyanobenzene 对苯二腈

CAS 623-26-7 MFCD00001810

化学结构图

623-26-7
SMILES: N#CC1CCC(C#N)CC1

化学属性

Mol. FormulaC8H4N2
Mol. Weight128
Density1.16
Melting Point221-225
TSCAYes
Solubility0.08 G/L (23 ºC)
Appearance 白色针状晶体或粉末。 不溶于水,微溶于乙醇、丙酮和热乙醚,溶于热苯和热醋酸。

别名和识别编码

Chemical Name1,4-Dicyanobenzene
CAS Number623-26-7
Alfabeta NameDICYANOBENZENE 14-,
MDL NumberMFCD00001810
Synonym 1,4-二氰基苯;对二氰基苯;对酞腈 p-phenylenedicarbonitrile p-Dicyanobenzene p-Dicyanobenzene TEREPHTHALODINITRILE Terephthalodinitrile p-Benzenedinitrile 1 Benzol-1,4-dicarbonitril 1,4-DICYANOBENZENE p-Cyanobenzonitrile p-Dicyanobenzol 1,4-Dicyanobenzene 1,4-BENZENEDICARBONITRILE Tereftalodinitril 1,4-Benzendikarbonitril Tereftalonitril p-Phthalodinitrile 对苯二腈 对二氰基苯 1,4-Benzoldicarbonitril p-Phthalodinitrile p-Phthalonitrile Terephthalonitril 对苯二甲腈, 1,4-苯二甲腈 p-Phenylen-diisocyanid 1,4-diacyanobenzene
EC Number210-783-2
Beilstein Registry Number1072210
PubChem Substance ID12172
Reaxys-RN1072210
Chemical Name Translation对苯二腈
InChIKeyBHXFKXOIODIUJO-UHFFFAOYSA-N
Wiswesser Line NotationNCR DCN
LabNetwork Molecule IDLN00173763
InChIInChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: II/25D
  • Short: III/31a
  • Photosensitizer in [2+2] cycloadditions: J. Am. Chem. Soc., 110, 8111 (1988), oxidative ring-opening of cyclopropyl compounds: J. Am. Chem. Soc., 119, 10241 (1997), alkoxymethylation reactions by photoinduced cleavage of alkyl trimethylsilymethyl ethers: Angew. Chem. Int. Ed., 37, 660 (1998).
  • Beilstein:9,846

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany2
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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
RTECSCZ1925000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Packing GroupIII
Hazard Class6.1(b)
UN Number 3439
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >6400 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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 699 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   INHEAO Industrial Health.  (National Institute of Industrial Health, 6-21-1
   Nagao, Tama-ku, Kawasaki, 213 Japan)  V.1-    1963- Volume(issue)/page/year:
   4,11,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 21,906,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4004 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 48,23,1990

其他信息

  • Acros Organics:1,4-二氰基苯 1,4-Dicyanobenzene, 98%(623-26-7)
  • 毒性分级:中毒
  • 刺激数据:眼睛-兔子 500 毫克/24小时 轻度
  • 下游产品:1,4-苯二甲胺 --> 对氰基苯甲酸甲酯 --> 1,3-苯二甲胺
  • 上游原料:对二甲苯 --> 双戊烯
  • Sigma Aldrich:623-26-7(sigmaaldrich)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 方法一:目前对苯二甲腈的生产有以对二甲苯为原料和以二聚戊烯为原料两种工艺路线。而目前我国均采用以对二甲苯为原料的生产工艺。反应的沸腾床中进行,催化剂为B2O5-Cr2O3-MoO3-P2O5-SiO2,以粗孔微还应形硅胶为载体。氨氧化在375-390℃进行,接触时间约2h,对二甲苯与氨的重量比为1:6-8,平均收率为95%左右。
  • 海关编码:29269095
  • 溶解度: 0.08 g/l 水 (23°C), 15.3 g/l 丙酮,溶于甲醇。
  • TCI Shanghai:对苯二腈 Terephthalonitrile,>;98.0%(GC)(623-26-7)
  • MOL 文件:623-26-7.mol
  • 类别:有毒物品
  • 用途二:用于生产医药。
  • Alfa Aesar:对苯二腈,98% Terephthalonitrile, 98%(623-26-7)
  • 对苯二腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0016 对苯二腈 Terephthalonitrile 25G 279元 2014/06/02 T0016 对苯二腈 Terephthalonitrile 500G 3620元 2010/06/21 113820250 对苯二腈 1,4-Dicyanobenzene 98% 25 GR 259元
  • 储运特性:通风低温干燥
  • 检测方法:HPLC
  • 急性毒性:腹腔-大鼠 LD50: 4004 毫克/公斤; 腹腔-小鼠 LD50: 699 毫克/公斤
  • 用途一:用于有机合成
  • MSDS 信息:1,4-Dicyanobenzene(623-26-7).msds
  • 图谱信息:对苯二腈(623-26-7)红外图谱(IR2) 对苯二腈(623-26-7)红外图谱(IR1) 对苯二腈(623-26-7)核磁图( 13 CNMR) 对苯二腈(623-26-7)质谱(MS) 对苯二腈(623-26-7)Raman光谱 对苯二腈(623-26-7)核磁图( 1 HNMR)
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和氰化物烟雾

系列性分类


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