59-97-2

• 常用中文名：盐酸妥拉唑林
• 常用英文名：Tolazoline hydrochloride
• CAS号：59-97-2
• 分子式：C₁₀H₁₃ClN₂
• 分子量：196.677
• 相关类别： 原料药 循环系统用药 周围血管扩张药
• 发布时间：2018-08-06 17:58:21
• 更新时间：2024-01-10 10:09:41
• Tolazoline(NSC35110; Imidaline)盐酸盐是_alpha_-肾上腺素受体抑制剂。

名称

• 中文名: 盐酸妥拉唑林
• 英文名: Tolazoline hydrochloride
• 中文别名: 2-苄基咪唑啉; 2-苄基-2-咪唑啉 盐酸盐
• 英文别名: 2-benzyl-4,5-dihydro-1H-imidazole chlorhydrate; 2-benzyl-4,5-dihydro-1H-imidazole,hydrochloride; 2-benzyl-4,5-dihydro-1H-imidazole chlorhydrate (1:1); Vasodilatan; EINECS 200-447-3; TCMDC-125842; 2-Benzyl-4,5-dihydro-1H-imidazolhydrochlorid; MFCD00012693; 2-Benzyl-4,5-dihydro-1H-imidazolhydrochlorid(1:1); priscol; 2-Benzyl-4,5-dihydro-1H-imidazole hydrochloride (1:1); 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-, hydrochloride (1:1)

物化性质

• 密度: 1.09g/cm3
• 沸点: 338.2ºC at 760mmHg
• 熔点: 172-176 °C
• 分子式: C₁₀H₁₃ClN₂
• 分子量: 196.677
• 闪点: 158.3ºC
• 精确质量: 196.076721
• PSA: 24.39000
• LogP: 1.79720
• 外观性状: 淡黄色结晶固体
• 储存条件:

  本品应密封保存。

• 稳定性: Hygroscopic
• 分子结构:

  1、 摩尔折射率：49.63

  2、 摩尔体积（m³/mol）：145.8

  3、 等张比容（90.2K）：370.3

  4、 表面张力（dyne/cm）：41.5

  5、 极化率（10 ^-24cm ³）：19.67

• 计算化学:

  1、 计疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：2

  3、 氢键受体数量：2

  4、 可旋转化学键数量：2

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：24.4

  7、 重原子数量：13

  8、 表面电荷：0

  9、 复杂度：169

  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：2

• 更多:

  1. 性状：白色或乳白色结晶性粉末。有微香。味苦。

  2. 密度（g/mL,25/4℃）： 未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：174

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：易溶于水、乙醇，溶于氯仿，极微溶于乙醚和乙酸乙酯。

生物活性

• 描述: Tolazoline(NSC35110; Imidaline)盐酸盐是_alpha_-肾上腺素受体抑制剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
  研究领域 >> 其他
• 参考文献:

  [1]. Tolazoline, From Wikipedia

MSDS

Name: Tolazoline Hydrochloride 99% Material Safety Data Sheet Synonym: 2-Benzyl-2-Imidazoline Hydrochloride CAS: 59-97-2 Section 1 - Chemical Product MSDS Name:Tolazoline Hydrochloride 99% Material Safety Data Sheet Synonym:2-Benzyl-2-Imidazoline Hydrochloride Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 59-97-2 Tolazoline Hydrochloride 99% 200-447-3 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. 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 ventilation to keep airborne concentrations low. Exposure Limits CAS# 59-97-2: 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: Crystalline powder Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 174.00 - 176.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: freely soluble Specific Gravity/Density: Molecular Formula: C10H12N2.HCl Molecular Weight: 196.72 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, 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# 59-97-2: NJ2350000 LD50/LC50: CAS# 59-97-2: Oral, mouse: LD50 = 400 mg/kg; Oral, rat: LD50 = 1200 mg/kg. Carcinogenicity: Tolazoline Hydrochloride - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: S 22 Do not breathe dust. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 59-97-2: No information available. Canada CAS# 59-97-2 is listed on Canada's NDSL List. CAS# 59-97-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 59-97-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：婴儿静脉TDLo：48mg/kg、47H-C；人静脉TDLo：150ug/kg；大鼠经口LD50：1200mg/kg；大鼠腹腔LD50：100mg； 大鼠静脉 LD50：85mg/kg；小鼠经口 LD50：400mg/kg；小鼠腹腔 LD50：130mg/kg；小鼠静脉LD50：56700ug/kg CHEMICAL IDENTIFICATION RTECS NUMBER : NJ2350000 CHEMICAL NAME : 2-Imidazoline, 2-benzyl-, monohydrochloride CAS REGISTRY NUMBER : 59-97-2 LAST UPDATED : 199701 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C10-H12-N2.Cl-H MOLECULAR WEIGHT : 196.70 WISWESSER LINE NOTATION : T5M CN BUTJ B1R &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - infant DOSE/DURATION : 48 mg/kg/47H-C TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from duodenum Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : AUPJB7 Australian Paediatric Journal. (Royal Childrens Hospital, Parkville, Vic., Australia) V.1- 1965- Volume(issue)/page/year: 22,221,1986 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 150 ug/kg TOXIC EFFECTS : Cardiac - change in rate Vascular - other changes Skin and Appendages - sweating REFERENCE : FOMDAK Folia Medica (Naples). (Naples, Italy) V.1-57, 1915-74. Volume(issue)/page/year: 27,729,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,511,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,511,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 85 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,511,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1992,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 130 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1992,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56700 ug/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression REFERENCE : JOPHDQ Journal of Pharmacobio-Dynamics. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1978- Volume(issue)/page/year: 9,395,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5567 No. of Facilities: 41 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 2093 (estimated) No. of Female Employees: 1417 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H315-H319-H335
• 警示性声明: P301 + P312 + P330-P305 + P351 + P338
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S22
• 危险品运输编码: 2811
• 海关编码: 2933290090

海关

海关编码	2933290090
中文概述	2933290090. 其他结构含非稠合咪唑环的化合物. 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	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%