1-羟基苯并三唑(HOBT) (HCID 75771)

概述

1-Hydroxybenzotriazole is a member of benzotriazoles.

名称与标识

首选名称: 1-Hydroxybenzotriazole
IUPAC: 1-hydroxybenzotriazole
中文名: 1-羟基苯并三唑(HOBT)
英文名: 1-Hydroxybenzotriazole
分子式: C6H5N3O
分子量: 135.12

名称与别名

1-Hydroxybenzotriazole2592-95-2HOBtBenzazimidol1H-Benzotriazole, 1-hydroxy-DTXSID3044627A2T929DMG4DTXCID1024627RefChem:76020219-989-71H-Benzo[d][1,2,3]triazol-1-ol1H-1,2,3-Benzotriazol-1-ol

展开更多名称

羟基苯三唑对羟基苯三唑1-羥苯并三唑HOBT 溶液1-羥基苯三氮1-羟基苯并三1-羧基苯并三唑1-羟基苯并三唑1-羟基苯三氮唑HOBT 无水物HBTHYDROXYBENZOTRIAZOLEHBOT1-HydroxybenzotrizoleHydroxybenzotriazole Monohydrate

1H-Benzotriazol-1-olN-Hydroxybenzotriazole1-Hydroxy-1H-benzotriazole1-BenzotriazololSitagliptin Impurity 47benzotriazol-1-ol1-HYDROXY-BENZOTRIAZOLE1-hydroxybenztriazole

数据库标识

CAS: 2592-95-2
PubChem CID: 75771
DTXSID: DTXSID3044627
ChEMBL: CHEMBL1389920
ChEBI: CHEBI:176967
UNII: A2T929DMG4
EC Number: 219-989-7
Nikkaji: J32.434E、J697.528C

性质

结构计算性质

XLogP: 1.2
极性表面积: 50.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 130

实验与物化性质

Chemical ClassesNitrogen Compounds -> Triazoles

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Solubility8.4 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionWhite solid; [Merck Index] Light yellow fine crystals with lumps; [Sigma-Aldrich MSDS]

Collision Cross Section124.9 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044627]

物理化学性质

熔点: 156 · 156-159°C
沸点: 149 · 149-150 °C
密度: 1 g/cm3 · 1 g/cm3
蒸气压: 0.009 Pa · 0.009Pa at 25℃
折射率: 20 · n20/D 1.488
闪点: 95 °C · 95 °C
储存条件: 2 · Inert atmosphere,2-8°C
溶解度: DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa): 7.39 · 7.39±0.58(Predicted)
形态: Solid
颜色: White to off-white crystalline powder
水溶解性: 4.201 g/L · 4.201g/L at 29℃
稳定性: Stable, but possible risk of explosion if heated under confinement. Flammable.
LogP: 0.146 at · 0.146 at 25℃
CAS 数据库: 2592 · 2592-95-2(CAS DataBase Reference)
NIST化学物质信息: 1 H-benzotriazole, · 1H-benzotriazole, 1-hydroxy-(2592-95-2)
EPA化学物质信息: 1 H-Benzotriazole, · 1H-Benzotriazole, 1-hydroxy- (2592-95-2)

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H203: (Deleted) Explosive; fire, blast or projection hazard [Danger Explosives]

P210, P230, P240, P250, P280, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)

Danger

H203 (96.8%): (Deleted) Explosive; fire, blast or projection hazard [Danger Explosives]

P210, P230, P240, P250, P264+P265, P273, P280, P305+P351+P338, P337+P317, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)

危害信息

Regulatory Information · 2 条

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19265

1H-Benzotriazole, 1-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild eye irritant; Causes somnolence and weight loss in oral lethal-dose studies of rats; [RTECS] May explode on heating; [Merck Index] Explosion hazard; An eye irritant; [Sigma-Aldrich MSDS] See 1-Hydroxybenzotriazole hydrate.

DOT Hazard Classification · 6 条

1-Hydroxybenzotriazole, anhydrous, dry or wetted with less than 20 percent water, by mass

UN0508

Div 1.3 Explosives (with predominately a fire hazard) (49 eCFR § 173.50)

1-Hydroxybenzotriazole, monohydrate

UN3474

Div 4.1 Flammable solid (49 eCFR § 173.124)

Hazard Classes and Categories · 3 条

Expl. 1.3 (96.8%)

Explosive - division 1.3

Expl. 1.3

安全与防护

Protective Action Criteria (PAC) · 3 条

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

安全数据

tsca: TSCA listed
毒性: rat,LDLo,oral,5gm/kg (5000mg/kg),Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 679, 1992.
RTECS号: DM1288000
危险等级: 1.3C
安全说明: 16-33-7/9-26-45-53-15-36/37-35
海关编码: 29339980
危险品标志: F,Xi,T,E
危险类别码: 11-5-36/38-36/37/38-36-20/21-61-2
危险品运输编号: UN 0508 (1-HYDROXYBENZOTRIAZOLE, ANHYDROUS, dry or wetted with less than 20 % water, by mass)

化学与工业

用途与制造

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]

Use ClassificationCorrosion inhibitors -> Transformation products

General Manufacturing Information1H-Benzotriazole, 1-hydroxy-: ACTIVE

应用领域

用途合成乌苯美司的中间体、多肽保护剂。用作有机合成中间体。

用途用于多肽合成，以DCC作为冷凝剂在肽合成中抑制外消旋作用。

试剂价格

H0468 · 25G: 1-羟基苯并三唑一水合物1-Hydroxybenzotriazole Monohydrate — 130元
XW800294322 · 100G: 1-羟基苯并三唑一水合物1-hydroxybenzotriazole monohydrate;hobt — 215元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

关联笔记

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1-羟基苯并三唑(HOBT)

基本信息

概述