157437-38-2
157437-38-2结构式
- 常用中文名：5-氯-8-喹啉三氟甲磺酸
- 常用英文名：5-chloro-8-quinolinetrifluoromethanesul&
- CAS号：157437-38-2
- 分子式：C10H5ClF3NO3S
- 分子量：311.66500
- 相关类别： 医药中间体 杂环化合物 喹啉类化合物
- 发布时间：2018-02-25 08:00:00
- 更新时间：2024-01-11 00:02:09
| 中文名 | 5-氯-8-喹啉三氟甲磺酸酯 |
|---|---|
| 英文名 | (5-chloroquinolin-8-yl) trifluoromethanesulfonate |
| 中文别名 | 5-氯-8-喹啉三氟甲磺酸 |
| 英文别名 |
5-Chloro-8-quinolinetriflate
5-Chloro-8-quinolinetrifluoromethanesulfonate I08-1180 5-chloro-8-(trifluoromethylsulfonyloxy)-quinoline 5-chloro-8-trifluoromethanesulfonyloxyquinoline Methanesulfonic acid,trifluoro-,5-chloro-8-quinolinyl ester MFCD07369729 |
| 密度 | 1.639g/cm3 |
|---|---|
| 沸点 | 386.394ºC at 760 mmHg |
| 熔点 | 79-83ºC(lit.) |
| 分子式 | C10H5ClF3NO3S |
| 分子量 | 311.66500 |
| 闪点 | 187.484ºC |
| 精确质量 | 310.96300 |
| PSA | 64.64000 |
| LogP | 4.19740 |
| 蒸汽压 | 0mmHg at 25°C |
| 折射率 | 1.571 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。 |
| 稳定性 | 常温常压下稳定，避免与强氧化剂接触。 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:7 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64.6 7.重原子数量:19 8.表面电荷:0 9.复杂度:423 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：固体 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）：79-83 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC，2mmHg）：未确定 7. 折射率(n20/D)：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（mmHg,20ºC）：未确定 12. 饱和蒸气压（kPa,25ºC）：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：2，689 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 |
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Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 5-Chloro-8-quinolinetrifluoromethanesulfonate CAS-No.: 157437-38-2 Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Acute toxicity, Oral (Category 1) Skin irritation (Category 2) Eye irritation (Category 2) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Irritating to eyes, respiratory system and skin. Toxic if swallowed. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) Fatal if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation. Precautionary statement(s) Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. Wash hands thoroughly after handling. P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R36/37/38Irritating to eyes, respiratory system and skin. R25Toxic if swallowed. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37Wear suitable protective clothing and gloves. 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 Synonyms: 5-Chloro-8-quinolinetriflate Formula: C10H5ClF3NO3S Molecular Weight: 311,66 g/mol ComponentConcentration 5-Chloro-8-quinolinetrifluoromethanesulfonate CAS-No.157437-38-2- 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 Wash off with soap and plenty of water. Take victim immediately to hospital. 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 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 any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Sulphur oxides, Hydrogen chloride gas, Hydrogen fluoride Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. 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 Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. Personal protective equipment Eye/face protection Face shield and safety glasses 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, 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 particle respirator type N100 (US) or type P3 (EN 143) 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: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 79 - 83 °C - lit. point f) Initial boiling point and no data available boiling range g) Flash pointno data available 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 densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 2,689 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 no data available 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 Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Causes respiratory tract irritation. IngestionMay be fatal if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. 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 Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 2811IMDG: 2811IATA: 2811 UN proper shipping name ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (5-Chloro-8-quinolinetrifluoromethanesulfonate) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (5-Chloro-8-quinolinetrifluoromethanesulfonate) IATA:Toxic solid, organic, n.o.s. (5-Chloro-8-quinolinetrifluoromethanesulfonate) Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment SECTION 16 - ADDITIONAL INFORMATION N/A |
| 符号 |
GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H300-H315-H319-H335 |
| 警示性声明 | P261-P264-P301 + P310-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| 危害码 (欧洲) | T |
| 风险声明 (欧洲) | R25 |
| 安全声明 (欧洲) | S26 |
| 危险品运输编码 | UN 2811 6.1/PG 3 |
| WGK德国 | 3 |
|
~90%
157437-38-2 |
| 文献：Ube Industries, Ltd. Patent: EP1847545 A1, 2007 ; Location in patent: Page/Page column 37-38 ; |
|
~%
157437-38-2 |
| 文献：Abbott Laboratories Patent: US6878700 B1, 2005 ; |
