4-Methylbenzonitrile 4-甲基苯腈

CAS 104-85-8 MFCD00001827

化学结构图

104-85-8
SMILES: Cc1ccc(C#N)cc1

化学属性

Mol. FormulaC8H7N
Mol. Weight117
Density0.981
Boiling Point217
Melting Point26-28
Flash Point85°(185°F)
TSCAYes
Refractive index1.5285-1.5305
Solubility<0.1 G/100 ML AT 17 ºC

别名和识别编码

Chemical Name4-Methylbenzonitrile
CAS Number104-85-8
Alfabeta NameTOLUNITRILE P-
MDL NumberMFCD00001827
EC Number203-244-8
Beilstein Registry Number507386
Synonym 4-Cyanotoluene 4-METHYLBENZENECARBONITRILE 4-Methylbenzenecarbonitrile 4-Methylbenzenecarbonitrile; p-Cyanotoluene; p-Methylbenzonitrile; 4-Methyl 4-Methylbenzonitrile 4-Methylbenzonitrile,4-Cyanotoluene 4-Toluenitrile 4-Toluenkarbonitril 4-Tolunitrile 4-Toluyl nitrile 4-Tolylsäurenitril 4-methylcya 4-methylcyanoben 4-tolunitrile p-Methylbenzonitrile p-Toluenenitrile p-Toluic nitrile p-Toluonitrile p-Toluylsäurenitril p-Tolylnitrile AKOS BBS-00004251 Benzonitrile, 4-methyl- CNT p p-Cyanotoluene p-Tolylnitrile {} {} {C {} {} {hazar 对甲基苯腈 对甲苯甲腈
Merck Number9538
PubChem Substance ID7724
Reaxys-RN507386
Chemical Name Translation4-甲基苯腈
Wiswesser Line NotationNCR D1
LabNetwork Molecule IDLN00174280
InChIInChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

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: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR)

安全信息

Warnings 危化品目录(2015) IRRITANT
Signal word Danger Warning
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;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Precautionary statements
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P333+P313
  • P342+P311
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSXV0700000
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1300 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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1080 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 5,161,1899

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3800 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

Restrict 危险品

其他信息

  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度; 眼睛-兔子 500 毫克/24小时 轻度
  • Alfa Aesar:对甲苯基腈,98+% p-Tolunitrile, 98+%(104-85-8)
  • Hazard Note:Irritant
  • Sigma Aldrich:104-85-8(sigmaaldrich)
  • 用途二:医药;染料中间体。
  • 下游产品:4-氰基苯甲醛 --> 阿伐斯汀 --> 4-甲基苯甲脒盐酸盐 --> 5-甲基喹啉
  • 类别:有毒物品
  • 毒性分级:中毒
  • 海关编码:29269095
  • 可燃性危险特性:明火可燃; 受热放出剧毒含腈气体
  • 用途一:用作医药、染料中间体
  • 外观性质:白色至黄色针状结晶。
  • 图谱信息:对甲苯腈(104-85-8)Raman光谱 对甲苯腈(104-85-8)红外图谱(IR1) 对甲苯腈(104-85-8)核磁图( 1 HNMR) 对甲苯腈(104-85-8)质谱(MS) 对甲苯腈(104-85-8)核磁图( 13 CNMR)
  • 灭火剂:雾状水、泡沫、干粉、二氧化碳、砂土
  • MSDS 信息:4-甲基苯甲腈(104-85-8).msds
  • MOL 文件:104-85-8.mol
  • 对甲苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0307 对甲基苯腈 p-Tolunitrile 25G 237元 2014/06/02 T0307 对甲基苯腈 p-Tolunitrile 500G 1850元 2010/06/21 158022500 对甲苯腈 p-Tolunitrile 98% 250 GR 1637元
  • 储运特性:库房通风低温干燥; 与食品、氧化剂、酸类分开储运
  • 对甲苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 T0307 对甲基苯腈 p-Tolunitrile 25G 250元 2011/04/16 T0307 对甲基苯腈 p-Tolunitrile 500G 1950元 2010/06/21 158022500 对甲苯腈 p-Tolunitrile 98% 250 GR 1637元
  • Acros Organics:对甲基苯腈 p-Tolunitrile, 98%(104-85-8)
  • TCI Shanghai:对甲苯基氰 p-Tolunitrile,>;98.0%(GC)(104-85-8)
  • 急性毒性:口服-大鼠 LD50: 3800 毫克/ 公斤

系列性分类


相关产品推荐