5-Methyl-1H-benzotriazole 5-甲基苯并三氮唑

CAS 136-85-6 MFCD00005702

化学结构图

136-85-6
SMILES: Cc1ccc2nn[nH]c2c1

化学属性

Mol. FormulaC7H7N3
Mol. Weight133.15
Boiling Point210-212 °C at 12 mmHg
Melting Point80-82 °C
TSCAYes
Solubility6.0 G/L (25 ºC)
Density1.422
Flash Point210-212°C/12mm
Appearance 黄色或浅黄色结晶体。熔点为80-82℃（83℃），沸点210-212℃（1.6kPa）。溶于醇、醚和氯仿。

别名和识别编码

Chemical Name5-Methylbenzotriazole
CAS Number136-85-6
Synonym 5-Methyl-1H-benzotriazole {LY} 5-Methyl-1H-benzotriazole 5-methyl-1H-benzotriazole 5-tolyltriazole {} {LY} 5-Methyl-1H-benzotriazole {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methyl-1H-benzotriazole {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00005702
PubChem Substance ID8705
Beilstein Registry Number26,58
EC Number205-265-8
Chemical Name Translation5-甲基苯并三氮唑
Reaxys-RN116658
Wiswesser Line NotationT56 BMNNJ G1
LabNetwork Molecule IDLN00193075
Canonical SMILESCC1=CC=C2NN=NC2=C1
InChIInChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
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分类

  • {SNA} Benzotriazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • Inhibitors
  • Heterocycles
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Analytical Standards, Analytical/Chromatography, Benzotriazole Metabolite, Chromatography, Pharmaceutical Standards
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical

产品应用

  • A potential nitrification inhibitor of urea fertilizer in agricultural soils.

相关文献及参考

  • Pillard, D., et al.: Environ. Toxicol. Chem., 14, 311

安全信息

WGK Germany3
GHS Symbol
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。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P312
  • P301+P312+P330
  • P301+P317
  • P301+P330+P331
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P302+P361+P354
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • 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。
  • P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDM1400000
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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
  • R37 Irritating to respiratory system 刺激呼吸道
  • R22 Harmful if swallowed 吞咽有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Hazard Codes Xn
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

其他信息

  • 上游原料:3-甲基苯胺 --> 对甲苯磺酰胺 --> 苯骈三氮唑 --> 甲苯二胺
  • 图谱信息:5-甲基苯并三氮唑(136-85-6)红外图谱(IR2) 5-甲基苯并三氮唑(136-85-6)质谱(MS) 5-甲基苯并三氮唑(136-85-6)红外图谱(IR1)
  • Acros Organics:5-Methyl-1H-benzotriazole, 98%(136-85-6)
  • Sigma Aldrich:136-85-6(sigmaaldrich)
  • 用途二:该品作为铜和铜合金缓蚀剂，与苯并三唑（BTA）类似，实际商品还包括4-甲基苯并三唑（[29878-31-7]）或者为两者的混合物，简称TTA。苯并三氮唑类缓蚀剂能与亚铜离子形成不溶性的稳定络合物，吸附在金属表面上，形成一层稳定的和惰性的保护膜，厚度仅5×10-7cm，但在各种介质中很稳定，从而使铜合金得到了保护。BTA在pH值为5.5-10范围内的缓蚀作用都限好，但在低pH值介质中，TTA的缓蚀作用比BTA强。其他三氮唑化合物，例如三氮唑和萘并三氮唑等对铜及铜合金也有缓蚀作用，但不如BTA和TTA。甲基苯并三唑也用于有机合成。
  • 方法一:与苯并三唑的制法相仿，可由甲苯二胺重氮化、环合而得。一种较老的方法是由间甲苯胺重氮盐与对甲苯磺酰胺反应得到。
  • MSDS 信息:5-Methyl-1H-benzotriazole(136-85-6).msds
  • MOL 文件:136-85-6.mol
  • TCI Shanghai:5-甲基-1H-苯并三唑 5-Methyl-1H-benzotriazole,>;99.0%(T)(136-85-6)
  • 5-甲基苯并三氮唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0249 5-甲基-1H-苯并三唑 5-Methyl-1H-benzotriazole 500G 3580元 2014/06/02 M0249 5-甲基-1H-苯并三唑 5-Methyl-1H-benzotriazole 25G 484元 2010/06/21 188000500 5-甲基苯并三氮唑 5-Methyl-1H-benzotriazole 98% 50 GR 1087元
  • 用途一:用作铜的防锈剂
  • Alfa Aesar:5-甲基苯三唑,98+% 5-Methyl-1H-benzotriazole, 98+%(136-85-6)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Resolution Reagents - Asymmetric Synthesis
  4. Chiral Resolving Reagents - Chiral Resolution Reagents
  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. Benzotriazoles 苯并三唑
  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. Benzotriazoles 苯并三唑
  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. Triazoles 三唑