143112-51-0

• 常用中文名：(R)-(-)-NBD-APy [即(R)-(-)-4-硝基-7-(3-氨基吡咯烷-1-基)-2,1,3-苯并恶二唑]
• 常用英文名：(r)-(-)-nbd-apy
• CAS号：143112-51-0
• 分子式：C₁₀H₁₁N₅O₃
• 分子量：249.226
• 相关类别： 分析化学 液相色谱 HPLC标记试剂
• 发布时间：2018-12-23 20:15:58
• 更新时间：2024-01-22 21:44:13
• 用于旋光纯度测定的高效液相色谱标记试剂

名称

• 中文名: (R)-(-)-4-硝基-7-(3-氨基吡咯烷-1-基)-2,1,3-苯并恶二唑
• 英文名: (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan
• 中文别名: R-(-)-4-硝基-7-(3-氨基吡咯啉)2,1,3-苯并唑; (R)-(-)-4-硝基-7-(3-氨基吡咯烷-1-基)苯并呋咱
• 英文别名: (3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-3-pyrrolidinamine; (R)-(-)-NBD-APY; (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole; (3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine; (3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine; MFCD00191510; 3-Pyrrolidinamine, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-, (3R)-

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 469.7±55.0 °C at 760 mmHg
• 熔点: -190ºC (dec.)
• 分子式: C₁₀H₁₁N₅O₃
• 分子量: 249.226
• 闪点: 237.9±31.5 °C
• 精确质量: 249.086182
• PSA: 114.00000
• LogP: 0.84
• 外观性状: 固体;Orange to Brown powder to crystal
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.678
• 储存条件:

  密封、在2 ºC -8 ºC下保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 分子结构:

  1、摩尔折射率：62.88

  2、摩尔体积（cm³/mol）：166.7

  3、等张比容（90.2K）：496.7

  4、表面张力（dyne/cm）：78.7

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：24.92

  7、单一同位素质量：249.086189 Da

  8、标称质量：249 Da

  9、平均质量：249.226 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.4

  2.氢键供体数量:1

  3.氢键受体数量:7

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积114

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:336

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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：红色粉末

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：190

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

MSDS

(R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1- Revision number: 1 yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] SAFETY DATA SHEET Section1. BASE INFORMATION Product name:(R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Serious eye damage/eye irritationCategory 2A ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance (R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] Component(s): [HPLC Labeling Reagent for e.e. Determination] Percent:>98.0%(LC) CAS Number:143112-51-0 Synonyms:(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan , (R)-(-)-4-Nitro-7-(3- aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole Chemical Formula:C10H11N5O3 (R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3- aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid (R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3- aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] Section9. PHYSICAL AND CHEMICAL PROPERTIES Form:crystal - powder Color:Reddish yellow - Deep yellow red Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: (R)-(-)-NBD-APy [=(R)-(-)-4-Nitro-7-(3- aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination] Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26
• WGK德国: 3