1,​2-​Benzenedicarbonitril​e 1,2-二氰基苯

CAS 91-15-6 MFCD00001771

化学结构图

91-15-6
SMILES: N#Cc1ccccc1C#N

化学属性

Mol. FormulaC8H4N2
Mol. Weight128.13
Melting Point137-139°C
Flash Point162°C
TSCAYes
Density1.24
Solubility0.56 G/L (25 ºC)
Appearance 白色针状结晶。熔点141℃,易溶于乙醇、乙醚、氯仿和苯,难溶于水及石油。能随水蒸气挥发。
Boiling Point304.6°C at 760 mmHg

别名和识别编码

Chemical Name1,​2-​Benzenedicarbonitril​e
CAS Number91-15-6
Alfabeta NamePHTHALONITRILE
MDL NumberMFCD00001771
Synonym Phthalonitrile {LY} Phthalonitrile {} {LY} Phthalonitrile {} {} {LY} Phthalonitrile {} {} {} {LY} Phthalonitrile {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phthalonitrile
PubChem Substance ID7042
EC Number202-044-8
Beilstein Registry Number775028
Chemical Name Translation1,2-二氰基苯
Reaxys-RN775028
Wiswesser Line NotationNCR BCN
LabNetwork Molecule IDLN00176934
InChIInChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
Canonical SMILESC1=CC=CC(=C1C#N)C#N
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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

产品应用

  • 染料中间体。有机合成。

相关文献及参考

  • Short: II/25D
  • Short: EINECS
  • Short: IV/8A
  • Beilstein:9,815

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany1
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSTI8575000
Precautionary statements
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P310
  • P301+P310+P330
  • P307+P311
  • P308+P311
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • 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 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;
  • 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);
Packing GroupII
UN Number 3439
Risk Statements
  • R21 Harmful in contact with skin 与皮肤接触有害
  • 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
Hazard Codes 6.1 T
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 21 gm/kg/65W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE :
   VOONAW Voprosy Onkologii.  Problems of Oncology.  For English translation,
   see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-10,
   1928-37; V.1-    1955-  Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 gm/kg/63W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - leukemia
   Tumorigenic - tumors at site of application
REFERENCE :
   VOONAW Voprosy Onkologii.  Problems of Oncology.  For English translation,
   see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-10,
   1928-37; V.1-    1955-  Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 473 mg/kg/21W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE :
   VOONAW Voprosy Onkologii.  Problems of Oncology.  For English translation,
   see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-10,
   1928-37; V.1-    1955-  Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7425 mg/kg/66W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   Rep. Ger.)  V.1-25, 1951-75.  Volume(issue)/page/year: 19,225,1969

{haz

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 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: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 46 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
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

其他信息

  • 用途一:广泛用于合成酞磺胺药物、酞菁颜料和染料、高热阻聚酰胺纤维、二甲苯基、二异氰酸酯塑料及脱硫催化剂等
  • TCI Shanghai:邻苯二甲腈 Phthalonitrile,>;99.0%(GC)(91-15-6)
  • 上游原料:三氯氧磷 --> 1,2-二甲苯 --> 邻苯二甲酰亚胺 --> 邻苯二甲酸
  • 能随水蒸气挥发。能被热盐酸逐渐水解成酸。易溶于乙醇、乙醚、丙酮、氯仿和苯,微溶于水和石油醚,水中溶解度: 0.56 g/l (25°C)。有刺激性。
  • 1,2-二氰基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0404 邻苯二甲腈 Phthalonitrile 500G 1220元 2014/06/02 P0404 邻苯二甲腈 Phthalonitrile 25G 112元 2010/06/21 174012500 1,2-二氰基苯 1,2-Dicyanobenzene 98% 250 GR 484元
  • 图谱信息:1,2-二氰基苯(91-15-6)核磁图( 1 HNMR) 1,2-二氰基苯(91-15-6)红外图谱(IR1) 1,2-二氰基苯(91-15-6)质谱(MS) 1,2-二氰基苯(91-15-6)红外图谱(IR2)
  • 用途四:染料中间体。有机合成。
  • Sigma Aldrich:91-15-6(sigmaaldrich)
  • 用途二:广泛用于合成酞磺胺药物、酞菁颜料和染料、高热阻聚酰胺纤维、二甲苯基和二异氰酸酯塑料及脱硫催化剂等
  • 下游产品:颜料黄 139
  • 海关编码:29269095
  • Alfa Aesar:邻苯二甲腈,98% Phthalonitrile, 98%(91-15-6)
  • MSDS 信息:o-Phthalodinitrile(91-15-6).msds
  • MOL 文件:91-15-6.mol
  • Acros Organics:1,2-二氰基苯 1,2-Dicyanobenzene, 98%(91-15-6)
  • 用途三:用于染料、颜料及其他有机合成。
  • 方法一:邻苯二甲酰亚胺与氨反应得到酞酸酰胺后,再经脱水即制得邻苯二甲腈。另外,将苯酐氨化后再与三氯氧磷反应,或将萘五氨进行氨氧化反应,或由邻二甲苯与氨进行氨氧化反应都可制得该品。

系列性分类


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