CAS: 288-94-8; 1H-Tetrazole

• 英文名称1H-Tetrazole
• 中文名称1H-四氮唑
• IUPAC名称2H-tetrazole
• 其它别名1H-Tetrazole
• CAS编号288-94-8
• MFCD编号:MFCD00005247
• EINECS号:206-023-4
• 分子式:CH2N4
• 分子量:70.027946
• 产品CID: 2211872
• 产品分类生物化工 → 核苷类药物 → 核苷酸及其类似物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N
• InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点156-158 °C
• 沸点220.2±23.0 °C at 760 mmHg
• 闪点114.6±15.6 °C
• 密度1.5±0.1 g/cm3
• pKa:4.9(at 25°C)
• PSA:54.46
• LogP:-1.16
• 折射率1.543
• 蒸汽压0.1±0.4 mmHg at 25°C
• 溶解性可溶于二甲基亚砜,甲醇
• 敏感性1H-TETRAZOLE is stable at normal temperature and pressure but decomposes rapidly and explosively if heated above its melting point of 155-157 °C (Chem. Rev 1947, 41, 5). Presents an extreme risk of explosion by shock, friction, fire or other sources of ignition. Reacts violently with strong oxidizers. Reacts with acidic materials (strong acids, acid anhydrides and acid chlorides) to release heat and toxic and corrosive gases. Reacts with some active metals to give new materials that are shock-sensitive explosives. Can react exothermically with reducing agents. Heating or burning releases toxic and corrosive nitrogen oxides, carbon monoxide, carbon dioxide. [MSDS Document number : 4330220A] | Soluble in water. Soluble in acetonitrile. Dilute solutions (2-3% by mass) of 1H-TETRAZOLE in acetonitrile are used in biochemistry for DNA synthesis.
• 外观形态白色至灰白色结晶粉末
• 储存条件Roomtemperature.
• 产品应用肽偶合剂.
• 性质描述白色结晶性粉末.熔点≥155°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS01;
  注释: Exploding bomb
• 危险类别Expl. 1.1
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  易燃液体 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H201 |易爆;有大规模爆炸危险.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H225 |高度易燃液体和蒸气.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P210,P305+P351+P338,P280
• UN编号UN 1993 3/PG 2
• 危险品标志F:Flammable
• 安全声明S16-S26-S36
• 危险类别码R20/21/22,R36,R11
• WGK Germany3.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Acetonitrile; 20 Min,Rt; Overnight,Rt
  标题:Bacterial Base Excision Repair Enzyme Fpg Recognizes Bulky N7-Substituted-Fapydg Lesion Via Unproductive Binding Mode
  作者:Coste,Franck; Ober,Matthias; Le Bihan,Yann-Vai; Izquierdo,Maria Angeles; Hervouet,Nadege; Et Al
  参考文献:Chemistry & Biology (Cambridge 日期:2008 卷标:15(7) 页码:706-717]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Acetonitrile
  标题:Synthesis Of O-Phosphorylated Oligopeptides Using Phosphoramidite
  作者:Li,Yanmei; Zhao,Yufen; Herbert,Waldmann
  参考文献:Tsinghua Science And Technology 日期:2000 卷标:5(2) 页码:163-166]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Diethyl Ether,Acetonitrile
  标题:Preparation Of Amino Acid-Containing Nucleotide And Nucleoside Triphosphates As Antiviral Agents
  参考文献:World Intellectual Property Organization]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Nanoparticle Formulations Of Sting Agonists
  参考文献:World Intellectual Property Organization]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Preparation Of Amino Acid-Containing Nucleotide And Nucleoside Triphosphates As Antiviral Agents
  参考文献:World Intellectual Property Organization]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Stepwise Regeneration And Recovery Of Deoxyribonucleoside Phosphoramidite Monomers During Solid-Phase Oligonucleotide Synthesis
  作者:Scremin,Carlo L.; Zhou,Liang; Srinivasachar,Kasturi; Beaucage,Serge L.
  参考文献:Journal Of Organic Chemistry 日期:1994 卷标:59(8) 页码:1963-6]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Acetonitrile
  标题:Sulfonyl-Containing Nucleoside Phosphotriesters And Phosphoramidates As Novel Anticancer Prodrugs Of 5-Fluoro-2'-Deoxyuridine 5'-Monophosphate (Fdump)
  作者:Sun,Yuan-Wan; Chen,Kun-Ming; Kwon,Chul-Hoon
  参考文献:Molecular Pharmaceutics 日期:2006 卷标:3(2) 页码:161-173]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Acetonitrile
  标题:Acridine-Labeled Primers As Tools For The Study Of Nonenzymic Rna Oligomerization
  作者:Kurz,Markus; Goebel,Karin; Hartel,Christian; Goebel,Michael W.
  参考文献:Helvetica Chimica Acta 日期:1998 卷标:81(6) 页码:1156-1180]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Diethyl Ether,Acetonitrile; Rt
  标题:Nucleotide And Nucleoside Therapeutic Compositions,Combinations And Uses Related Thereto
  参考文献:World Intellectual Property Organization]
  
  288-94-8 = 288-94-8
  反应条件:1.1 Solvents: Diethyl Ether,Acetonitrile
  标题:Preparation Of Nucleotides And Nucleosides As Antitumor And Antiviral Agents
  参考文献:World Intellectual Property Organization]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Phosphoramidite Intermediates For Providing Functional Groups On The 5' End Of Oligonucleotides
  参考文献:United States]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Oligonucleotides With A Nuclease-Resistant Sulfur-Based Linkage
  作者:Huie,Edward M.; Kirshenbaum,Mindy R.; Trainor,George L.
  参考文献:Journal Of Organic Chemistry 日期:1992 卷标:57(17) 页码:4569-70]
  
  = 288-94-8 [标题:Reaction Conditions
  标题:Chemical Synthesis Of Deoxyoligonucleotides By The Phosphoramidite Method
  作者:Caruthers,M. H.; Barone,A. D.; Beaucage,S. L.; Dodds,D. R.; Fisher,E. F.; Et Al
  参考文献:Methods In Enzymology 日期:1987 卷标:154 页码:287-313

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管