4-Nitrobenzonitrile 对硝基苯甲腈

CAS 619-72-7 MFCD00007279

化学结构图

619-72-7
SMILES: N#Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC7H4N2O2
Mol. Weight148
Density1.31
Melting Point144-147
TSCAT
Appearance 叶状体结晶。熔点149℃。溶于氯仿醋酸和热乙醇,微溶于水和乙醚。能升华随水蒸气挥发。

别名和识别编码

Chemical Name4-Nitrobenzonitrile
CAS Number619-72-7
Alfabeta NameNITROBENZONITRILE 4-
MDL NumberMFCD00007279
Synonym 1-Nitro-4-cyanobenzene; p-Nitrobenzonitrile 1-nitro-4-cyanobenzene 4-Cyano-1-nitrobenzene 4-Cyanonitrobenzene 4-NITROBENZONITRILE AKOS B004099 Benzonitrile, p-nitro- Benzonitrile,4-nitro- P-Nitro 硝基呋喃
EC Number210-610-0
Beilstein Registry Number972078
PubChem Substance ID87573551
Reaxys-RN972078
Chemical Name Translation对硝基苯甲腈
InChIKeyNKJIFDNZPGLLSH-UHFFFAOYSA-N
Wiswesser Line NotationWNR DCN
LabNetwork Molecule IDLN00174745
InChIInChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/35D2
  • Beilstein:9,397
  • Short: III/20a
  • Short: III/35B
  • Diaryl ethers can be prepared by displacement of the activated nitro-group by phenoxide ion in DMSO: J. Chem. Soc., Perkin 1, 3229 (1988).

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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);
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
  • 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
  • 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+P310+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P332+P313
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H311+H331
  • H300 Fatal if swallowed 吞食致命
RTECSDI4903500
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Packing GroupII
UN Number 2811 3439 UN 2811 6.1/PG 2
Hazard Codes 6.1 T
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 30 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           : 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        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 41,391,1983

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 50 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 170,11,1986

其他信息

  • MSDS 信息:4-Nitrobenzonitrile(619-72-7).msds
  • 对硝基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010233 4-硝基苯腈 25g 350元 2011/04/16 N0172 4-硝基苄腈 4-Nitrobenzonitrile 25G 545元 2011/04/16 N0172 4-硝基苄腈 4-Nitrobenzonitrile 250G 3100元
  • 上游原料:对硝基苯甲酸 --> 对甲苯磺酰胺
  • Alfa Aesar:4-硝基苯腈,97% 4-Nitrobenzonitrile, 97%(619-72-7)
  • 用途一:用作医药中间体
  • MOL 文件:619-72-7.mol
  • Sigma Aldrich:619-72-7(sigmaaldrich)
  • Acros Organics:4-硝基苯腈 4-Nitrobenzonitrile, 97%(619-72-7)
  • 方法一:将对硝基苯甲酸对甲苯磺酰胺搅拌混合,缓缓升温,于225-230℃下反应。将反应物倾入水中,过滤,洗涤,干燥即得对硝基苯腈。收率82%。
  • 海关编码:29269095
  • 下游产品:4-氨基苯甲脒二盐酸盐 --> 4,4’-二脒基重氮氨基苯二乙尿酸 --> 4-硝基苄眯盐酸盐
  • TCI Shanghai:4-硝基苄腈 4-Nitrobenzonitrile,>;98.0%(GC)(619-72-7)
  • 图谱信息:对硝基苯甲腈(619-72-7)红外图谱(IR3) 对硝基苯甲腈(619-72-7)核磁图( 13 CNMR) 对硝基苯甲腈(619-72-7)Raman光谱 对硝基苯甲腈(619-72-7)质谱(MS) 对硝基苯甲腈(619-72-7)红外图谱(IR2) 对硝基苯甲腈(619-72-7)红外图谱(IR1) 对硝基苯甲腈(619-72-7)核磁图( 1 HNMR)

系列性分类


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