o-Tolunitrile 邻甲基苯腈

CAS 529-19-1 MFCD00001792

化学结构图

529-19-1
SMILES: Cc1ccccc1C#N

化学属性

Mol. FormulaC₈H₇N
Mol. Weight117.15
Refractive index1.5270 to 1.5290
Boiling Point
Density0.989
Melting PointNo Data Available
Flash Point-
TSCAYes
Solubility<0.1 G/100 ML AT 17 ºC

别名和识别编码

Chemical Nameo-Tolunitrile
Synonym 1-Cyano-2-methylbenzene 1-Methyl-2-cyanobenzene 2-CYANOTOLUENE 2-Cyantoluol 2-METHYLBENZENECARBONITRILE 2-METHYLBENZONITRILE 2-Methylbenzenecarbonitrile 2-Methylbenzenecarbonitrile; o-Cyanotoluene; o-Methylbenzonitrile; o-Toluic nitrile; o-Toluonitrile; o-Tolylnitrile; CNT 2-Methylbenzonitrile 2-TOLUNITRILE 2-Toluenkarbonitril 2-Tolunitrile 2-Tolyl cyanide 2-cyanotoluene 2-methyl-benzonitril 2-methyl-benzonitrile 2-氰基甲苯 2-甲基苯腈 o-Methylbenzonitrile o-Toluic nitrile o-Toluisonitril o-Tolunitril o-Tolunitrile o-Tolylnitrile o-cyanotoluene o-methylbenzontrile {LY
MDL Number-
CAS Number529-19-1
PubChem Substance ID10721
EC Number208-451-7
Beilstein Registry Number9,466
Merck Number9537
Reaxys-RN1857417
Chemical Name Translation邻甲基苯腈
Wiswesser Line NotationNCR B1
LabNetwork Molecule IDLN00223129
InChIInChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
Canonical SMILES-
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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

  • 医药及染料中间体。

相关文献及参考

  • Short: II/27B
  • Merck: 14,9537 Beilstein:9,466
  • Short: III/20a
  • Merck: 14,9537

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXV0600000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P332+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。
  • P332+P313
  • P337+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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R52/53
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Hazard Codes Xi
UN Number 3276
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - tremor
   Lungs, Thorax, or Respiration - dyspnea
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           : 3200 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           : 618 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - convulsions or effect on seizure threshold
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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz.  (Darmstadt, Fed.
   R

Restrict 危险品
Storage condition 4 4°C

其他信息

  • Alfa Aesar:邻甲苯腈,98% o-Tolunitrile, 98%(529-19-1)
  • TCI Shanghai:邻甲苯基氰 o-Tolunitrile,>;98.0%(GC)(529-19-1)
  • 用途一:用作生产荧光增白剂的主要原料,也可用于染料、医药、橡胶及农药行业
  • 下游产品:2-甲基-5-氨基苯甲腈 --> 2-甲基-5-硝基苯甲腈
  • 毒性分级:中毒
  • Acros Organics:邻甲基苯甲腈 o-Tolunitrile, 98%(529-19-1)
  • 上游原料:硝酸 --> 氨 --> 1,2-二甲苯 --> 邻甲基苯甲酸
  • 灭火剂:干粉、泡沫、二氧化碳、砂土
  • 邻甲基苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80131881 邻甲苯甲腈 250ml 480元 2011/08/23 80131880 邻甲苯甲腈 250ml 330元 2011/04/16 T0306 邻甲基苯腈 o-Tolunitrile 25G 110元
  • Sigma Aldrich:529-19-1(sigmaaldrich)
  • 用途二:医药及染料中间体。
  • 海关编码:29269095
  • 外观性质:无色液体。
  • 急性毒性:口服-大鼠 LD50: 3200 毫克/公斤; 腹腔-小鼠LD50: 700 毫克/公斤
  • MSDS 信息:2-甲基苯甲腈(529-19-1).msds
  • 可燃性危险特性:明火可燃; 燃烧产生有毒氮氧化物和氰化物烟雾
  • MOL 文件:529-19-1.mol
  • 图谱信息:邻甲基苯腈(529-19-1)红外图谱(IR1) 邻甲基苯腈(529-19-1)质谱(MS) 邻甲基苯腈(529-19-1)核磁图( 13 CNMR) 邻甲基苯腈(529-19-1)Raman光谱 邻甲基苯腈(529-19-1)核磁图( 1 HNMR)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 类别:有毒物品

系列性分类


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