13078-15-4

• 常用中文名：1-(3-氯苯基)哌嗪盐酸盐
• 常用英文名：1-(3-Chlorophenyl)piperazine hydrochloride
• CAS号：13078-15-4
• 分子式：C₁₀H₁₄Cl₂N₂
• 分子量：233.138
• 发布时间：2018-06-14 17:53:10
• 更新时间：2024-01-03 11:44:48

名称

• 中文名: 1-(3-氯苯基)哌嗪盐酸盐
• 英文名: 1-(3-Chlorophenyl)piperazine hydrochloride
• 中文别名: 1-(3-氯苯基)哌嗪单盐酸盐
• 英文别名: 1-(3-Chlorophehyl)piperazine.hydrochloride; 1-m-chlorophenylpiperazine hydrochloride; 1-(3-Chlorophenyl)-piperazine HCl; MFCD00012764; Chlorophenylpiperazinehydrochloride; 1-(3-Chlorophenyl)piperazinehydrochloride; 1-(3-Chlorophenyl)piperazine monohydrochloride; 1-(3-chlorophenyl)-piperazinmonohydrochloride; EINECS 235-976-9; 1-(m-chlorophenyl)piperazine monohydrochloride; 1-(3-Chlorophenyl)piperazinium chloride; 1-(3-Chlorophenyl)Piperazine Hydrochloride; m-Chlorophenylpiperazine hydrochloride; 3-Chlorophenylpiperazine hydrochloride; N-(M-Chlorophenyl)piperazine Hydrochloride; 1-(m-chlorophenyl)-piperazinmonohydrochloride; 1-(3-chloro-phenyl)-piperazine hydrochloride; 4-(3-Chlorophenyl)piperazine Hydrochloride

物化性质

• 沸点: 336.4ºC at 760 mmHg
• 熔点: 212-214ºC
• 分子式: C₁₀H₁₄Cl₂N₂
• 分子量: 233.138
• 闪点: 157.2ºC
• 精确质量: 232.053406
• PSA: 15.27000
• LogP: 2.94540
• 外观性状: 白色粉末
• 蒸汽压: 0.000112mmHg at 25°C
• 储存条件:

  常温密闭，阴凉通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 分子结构:

  1、 摩尔折射率：54.70

  2、 摩尔体积（m³/mol）：169.6

  3、 等张比容（90.2K）：426.1

  4、 表面张力（dyne/cm）：39.7

  5、 极化率（10^-24cm³）：21.68

• 计算化学:

  1、 氢键供体数量：2

  2、 氢键受体数量：2

  3、 可旋转化学键数量：1

  4、 拓扑分子极性表面积（TPSA）：15.3

  5、 重原子数量：14

  6、 表面电荷：0

  7、 复杂度：157

  8、 同位素原子数量：0

  9、 确定原子立构中心数量： 0

  10、 不确定原子立构中心数量：0

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：2

• 更多:

  1. 性状：白色粉末

  2. 密度（g/mL, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：212-214

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，10mmHg）：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（20ºC）：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：可溶于水

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 1-(3-Chlorophenyl)piperazine, HCl Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:1-(3-Chlorophenyl)piperazine, HCl CAS number:13078-15-4 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C10H14Cl2N2 Molecular weight: 233.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1. 急性毒性：女人口服TDLo：500ug/kg；大鼠口服LD50：142mg/kg；大鼠腹腔LD50：36mg/kg 主要的刺激性影响： 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化现象 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : TL2833500 CHEMICAL NAME : Piperazine, 1-(3-chlorophenyl)-, monohydrochloride CAS REGISTRY NUMBER : 13078-15-4 LAST UPDATED : 199706 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C10-H13-Cl-N2.Cl-H MOLECULAR WEIGHT : 233.16 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 500 ug/kg TOXIC EFFECTS : Behavioral - headache Gastrointestinal - nausea or vomiting REFERENCE : CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960- Volume(issue)/page/year: 43,605,1988 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 142 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17(Suppl 5),S1247,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 36 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - tremor Lungs, Thorax, or Respiration - pleural thickening REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17(Suppl 5),S1247,1989

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R25;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 2811
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2933599090

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海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%