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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles
  6. C6 to C7
  1. Materials Science 材料科学
  2. Phthalonitriles & Naphthalonitriles

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