1-Hydroxybenzotriazole 1-羟基苯并三唑

CAS 2592-95-2 MFCD00005805

化学结构图

2592-95-2
SMILES: On1nnc2ccccc21

化学属性

Mol. FormulaC6H5N3O
Mol. Weight135.12
Density0.983 g/mL at 25 °C
Refractive indexn20/D 1.4500
Boiling Point344.6°C at 760 mmHg
TSCAYes
Melting Point156-159°C
Flash Point95 °C
pH:A

别名和识别编码

Chemical Name1-Hydroxybenzotriazole
CAS Number2592-95-2
Alfabeta NameBENZOTRIAZOLOLWETWITHWATER H%1123114()----,,
MDL NumberMFCD00005805
EC Number219-989-7
Beilstein Registry Number5627231
Synonym 1-Benzotriazolol(HOBT) {LY} 1-Benzotriazolol(HOBT) {} {LY} 1-Benzotriazolol(HOBT) {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzotriazolol(HOBT) {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID75771
Chemical Name Translation1-羟基苯并三唑
Reaxys-RN5627231
LabNetwork Molecule IDLN00164462
InChIInChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
Canonical SMILESON1N=NC2=CC=CC=C21
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分类

  • {SNA} Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Chemistry, Peptide Coupling, Synthetic Reagents

产品应用

  • 合成乌苯美司的中间体、多肽保护剂。广泛用于在以碳二亚胺类缩合剂进行的多肽缩合反应，可显著降低消旋比率，亦用于多肽片断缩合时防止消旋的产生。

相关文献及参考

  • Beilstein:26,41

安全信息

Warnings IRRITANT
Signal word
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；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S7/9 Keep container tightly closed and in a well-ventilated place 保持容器严格密闭，置于通风良好的场所；
  • S15 Keep away from heat 远离热源；
  • 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；
Risk Statements
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
  • R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R5 Heating may cause an explosion 加热会引起爆炸
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R11 Highly flammable 非常易燃
Precautionary statements
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P305+P351+P338
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P305+P351+P338+P337+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P370 In case of fire: 在发生火灾的情况下：
  • P380 Evacuate area. 疏散该地区。
  • P370+P380
Hazard statements
  • H203 Explosive; fire, blast or projection hazard 爆炸品；火灾、爆炸或喷射危险。
  • H228 Flammable solid 易燃固体
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupI
UN Number UN2265 3474
RTECSDM1288000
Hazard Codes F,Xi,T T
Hazard Class4.1
Storage condition 2-8°C {LY} 2-8°C Store at RT. {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,679,1992

其他信息

  • 1-羟基苯并三唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw020054 1-羟基-苯并三氮唑(无水) (HOBt)（ 2-8℃） 250g 360元 2011/04/16 H0468 1-羟基苯并三唑一水合物 1-Hydroxybenzotriazole Monohydrate 500G 3210元 2011/04/16 H0468 1-羟基苯并三唑一水合物 1-Hydroxybenzotriazole Monohydrate 25G 374元
  • 上游原料:水合肼 --> 水合肼
  • 外观性质:白色或灰白色粉末。熔点：156～159℃
  • Alfa Aesar:1-Hydroxybenzotriazole, 15% w/w in dimethylformamide(2592-95-2)
  • 下游产品:4-(3-叔丁基-1,2,4-噁二唑-5-基)苯硼酸 --> 3-(2-氰基乙基甲酰氨)苯基硼酸 --> 4-(2-氰基乙基甲酰氨)苯基硼酸 --> 4-(3-叔丁基-1,2,4-恶二唑-5-基)苯甲醛 --> 4-(哌啶-1-羰基)苯基硼酸 --> 3-叔丁基-5-(4-溴苄基)-1,2,4-恶二唑 --> 6-溴-4-氯-2-甲基喹唑啉 --> 6-溴-2-甲基喹唑啉-4(3H)-酮 --> 2-氨基-5-溴苯甲酰胺 --> (6R,7R)-7-[[(2-氨基-4-噻唑基)-[(1-羧基-1-甲基乙氧基)亚氨基]乙酰基]氨基]-2-羧基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-甲基吡啶鎓内盐 --> 反式-1,4-二氯-2-丁烯 --> 群多普利 --> 伊布利特
  • 用途二:用作有机合成中间体
  • MSDS 信息:1-Hydroxybenzotriazole(2592-95-2).msds
  • MOL 文件:2592-95-2.mol
  • 用途三:合成乌苯美司的中间体、多肽保护剂。广泛用于在以碳二亚胺类缩合剂进行的多肽缩合反应，可显著降低消旋比率，亦用于多肽片断缩合时防止消旋的产生。
  • 图谱信息:1-羟基苯并三唑(2592-95-2)质谱(MS) 1-羟基苯并三唑(2592-95-2)红外图谱(IR2) 1-羟基苯并三唑(2592-95-2)红外图谱(IR1)
  • 用途一:合成乌苯美司的中间体 、多肽保护剂
  • Sigma Aldrich:2592-95-2(sigmaaldrich)
  • TCI Shanghai:1-羟基苯并三唑一水合物 1-Hydroxybenzotriazole Monohydrate,>;97.0%(T)(2592-95-2)
  • 存储注意事项:热敏感
  • 检测方法:HPLC,NMR

系列性分类

  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
  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. Others 其他杂环
  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. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Coupling - Synthetic Reagents
  4. Active Esters/Additives - Coupling
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DA - DH - D
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Condensation & Active Esterification
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Peptide Synthesis

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