2592-95-2

• 常用中文名：1-羟基苯并三唑
• 常用英文名：1-Hydroxybenzotriazole
• CAS号：2592-95-2
• 分子式：C₆H₅N₃O
• 分子量：135.123
• 相关类别： 生物化工 氨基酸及其衍生物 其他保护氨基酸
• 发布时间：2018-04-12 08:00:00
• 更新时间：2024-01-02 15:43:01

• 合成乌苯美司的中间体。

名称

• 中文名: 1-羟基苯并三唑
• 英文名: 1-Hydroxybenzotriazole
• 中文别名: 1-羟基苯并三氮唑; 1-羟基苯骈三氮唑; 1-羟基苯并三氮唑(HOBT); 1-羟基-苯并-三氮唑(HOBt)
• 英文别名: 1H-Benzotriazol-1-ol; N-Hydroxybenzotrizole; hydroxybenzotriazole; HOBt solution; MFCD00005805; 1-hydroxy-1H-1,2,3-benzotriazole; EINECS 219-989-7; 1-hydroxy benzotriazole; 1-Oxy-benztriazol; 1,2,3-Benzotriazol-1-ol; N-hydroxy-benzotriazole; 1H-1,2,3-Benzotriazole, 1-hydroxy-; 1-hydroxy-1,2,3-benzotriazole; HOBTA; 1-HOB; BENZOTRIAZOL-1-OL; HOBT; HBT; 1-Hydroxybenzotriazole; 1H-Benzo[d][1,2,3]triazol-1-ol; Benzazimidol; 1-Methyl-2-pyrrolidinone

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 344.6±25.0 °C at 760 mmHg
• 熔点: 156-159°C
• 分子式: C₆H₅N₃O
• 分子量: 135.123
• 闪点: 162.2±23.2 °C
• 精确质量: 135.043259
• PSA: 61.80000
• LogP: 0.69
• 外观性状: 白色至淡黄色粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.739
• 储存条件:

  密封于阴凉干燥环境。

• 稳定性:

  如果遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：36.01

  2、 摩尔体积（m³/mol）：89.4

  3、 等张比容（90.2K）：255.7

  4、 表面张力（dyne/cm）：66.8

  5、 极化率（10^-24cm³）：14.27

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积50.9

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:130

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：1

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：156-159

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.488

  8. 闪点（ºC）：95

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）： 无可用

  19. 溶解性：无可用

MSDS

Name: 1-Hydroxybenzotriazole 98% Material Safety Data Sheet Synonym: HOB CAS: 2592-95-2 Section 1 - Chemical Product MSDS Name:1-Hydroxybenzotriazole 98% Material Safety Data Sheet Synonym:HOB Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2592-95-2 1-Hydroxybenzotriazole 98.0 219-989-7 Hazard Symbols: F Risk Phrases: 11 44 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Highly flammable. Risk of explosion if heated under confinement.Light sensitive. Potential Health Effects Eye: Dust may cause mechanical irritation. May cause lacrimation (tearing), blurred vision, and photophobia. May cause chemical conjunctivitis and corneal damage. Skin: May cause skin irritation and possible burns. Ingestion: May cause irritation of the digestive tract. May cause nausea, vomiting, abdominal pain, and increased salivation. Inhalation: Inhalation of dust may cause respiratory tract irritation. Olfactory fatigue may occur. Can produce delayed pulmonary edema. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Dust can be an explosion hazard when exposed to heat or flame. Flammable solid. May burn rapidly with flare burning effect. May re-ignite after fire is extinguished. Containers may explode when heated. Risk of explosion if heated under confinement. Extinguishing Media: Use water spray to cool fire-exposed containers. For large fires, use water spray, fog or regular foam. Contact professional fire-fighters immediately. For small fires, use dry chemical, carbon dioxide, sand, earth, water spray or regular foam. Cool containers with flooding quantities of water until well after fire is out. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Avoid generating dusty conditions. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 2592-95-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 157 deg C dec Autoignition Temperature: Not available. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 157 deg C Solubility in water: 0.3% (20C) Specific Gravity/Density: Molecular Formula: C6H5N3O Molecular Weight: 135.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Heating above 180C results in rapid exothermic decomposition. Heating may cause an explosion. Conditions to Avoid: Incompatible materials, ignition sources, dust generation, excess heat, strong oxidants, heating above the melting point (155-158C). Incompatibilities with Other Materials: Strong oxidizing agents, copper nitrate. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2592-95-2: DM1288000 LD50/LC50: CAS# 2592-95-2: Draize test, rabbit, eye: 100 mg Mild. Carcinogenicity: 1-Hydroxybenzotriazole - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.* Hazard Class: 4.1 UN Number: 1325 Packing Group: III IMO Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing Group: III RID/ADR Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S. Hazard Class: 4.1 UN Number: 1325 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: F Risk Phrases: R 11 Highly flammable. R 44 Risk of explosion if heated under confinement. Safety Phrases: S 7/9 Keep container tightly closed and in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 33 Take precautionary measures against static discharges. WGK (Water Danger/Protection) CAS# 2592-95-2: No information available. Canada CAS# 2592-95-2 is listed on Canada's DSL List. CAS# 2592-95-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2592-95-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：行政到眼睛 摄入剂量： 100毫克 测试对象：啮齿动物-兔 毒性类型： SkinEyeIrrition 毒性作用： 轻微的 2 。 试验方法：口服 摄入剂量： 5毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 1.嗜睡（普通抑郁活动） 2.体重减轻或减少体重增加 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : DM1288000 CHEMICAL NAME : 1H-Benzotriazole, 1-hydroxy-, hydrate CAS REGISTRY NUMBER : 2592-95-2 BEILSTEIN REFERENCE NO. : 0004515 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C6-H5-N3-O MOLECULAR WEIGHT : 135.14 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit 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 ** ACUTE TOXICITY DATA ** 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

安全

• 危害码 (欧洲): F:Flammable
• 风险声明 (欧洲): R11;R5
• 安全声明 (欧洲): S16-S33-S7/9-S26-S45-S53-S15
• 危险品运输编码: 1325
• RTECS号: DM1288000
• 包装等级: III
• 危险类别: 4.1
• 海关编码: 2933990090

合成路线

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制备

用邻硝基苯肼与氨水反应制取。

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%