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


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