中文名 | 1-烯丙基哌嗪 |
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英文名 | 1-allylpiperazine |
英文别名 |
1-prop-2-enylpiperazine
1-Allylpiperazine MFCD00167970 |
密度 | 0.902 g/mL(lit.) |
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沸点 | 181-182 °C(lit.) |
分子式 | C7H14N2 |
分子量 | 126.19900 |
闪点 | 125 °F |
精确质量 | 126.11600 |
PSA | 15.27000 |
LogP | 0.34430 |
外观性状 | 透明淡黄色液体 |
蒸汽压 | 0.997mmHg at 25°C |
折射率 | n20/D 1.4830(lit.) |
储存条件 | 常温密闭避光,通风干燥惰性气体下 |
稳定性 | 常温常压下不稳定 避免的物料:氧化物 空气 |
分子结构 | 1、 摩尔折射率:39.04 2、 摩尔体积(m3/mol):142.7 3、 等张比容(90.2K):324.4 4、 表面张力(dyne/cm):26.7 5、 极化率(10-24cm3):15.47 |
计算化学 | 1.疏水参数计算参考值(XlogP):0.3 2.氢键供体数量:1 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:无 6.拓扑分子极性表面积15.3 7.重原子数量:9 8.表面电荷:0 9.复杂度:84.9 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:液体 2. 密度(g/mL,25/4℃):0.902 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):未确定 5. 沸点(ºC,常压):180-182 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):51 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:未确定 |
Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 1-Allylpiperazine CAS-No.: 13961-36-9 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Flammable liquids (Category 3) Skin corrosion (Category 1B) Classification according to EU Directives 67/548/EEC or 1999/45/EC Flammable. Causes burns. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H226Flammable liquid and vapour. H314Causes severe skin burns and eye damage. Precautionary statement(s) P280Wear protective gloves/ protective clothing/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310Immediately call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R10Flammable. R34Causes burns. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39Wear suitable protective clothing, gloves and eye/face protection. S45In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C7H14N2 Molecular Weight: 126,2 g/mol ComponentConcentration 1-Allylpiperazine CAS-No.13961-36-9- Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of immediate medical attention and special treatment needed no data available Section5. FIRE-FIGHTING MEASURES Extinguishing media Suitable extinguishing media For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Precautions for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting/freezing point no data available f) Initial boiling point and 181 - 182 °C - lit. boiling range g) Flash point51,7 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,902 g/cm3 n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Autoignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Material is extremely destructive to the tissue of the mucous membranes and upper respiratory tract. Ingestion May be harmful if swallowed. Causes burns. SkinMay be harmful if absorbed through skin. Causes skin burns. Eyes Causes eye burns. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN-Number ADR/RID: 2734IMDG: 2734IATA: 2734 UN proper shipping name ADR/RID: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. (1-Allylpiperazine) IMDG: AMINES, LIQUID, CORROSIVE, FLAMMABLE, N.O.S. (1-Allylpiperazine) IATA:Amines, liquid, corrosive, flammable, n.o.s. (1-Allylpiperazine) Transport hazard class(es) ADR/RID: 8 (3)IMDG: 8 (3)IATA: 8 (3) Packaging group ADR/RID: IIIMDG: IIIATA: II Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for users no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 1、急性毒性:主要的刺激性影响: 在皮肤上面:在皮肤和粘膜上造成腐蚀性影响,刺激皮肤和粘膜; 在眼睛上面:强烈的腐蚀性影响,刺激的影响;没有已知的敏化影响。 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。
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符号 |
GHS02, GHS05 |
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信号词 | Danger |
危害声明 | H226-H314 |
警示性声明 | P280-P305 + P351 + P338-P310 |
个人防护装备 | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
危害码 (欧洲) | C: Corrosive;Xi: Irritant; |
风险声明 (欧洲) | R10;R34 |
安全声明 (欧洲) | S26-S36/37/39-S45 |
危险品运输编码 | UN 2734 8/PG 2 |
WGK德国 | 3 |
包装等级 | II |
危险类别 | 8 |
海关编码 | 2933599090 |
~98% 13961-36-9 |
文献:Hachemaoui, Aicha; Belbachir, Mohammed Mendeleev Communications, 2005 , # 3 p. 124 - 125 |
~% 13961-36-9 |
文献:Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 9 p. 1535 - 1537 |
上游产品 3 | |
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下游产品 2 | |
海关编码 | 2933599090 |
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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% |