(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱,143112-51-0，生产厂家，价格-洛克化工网移动版

(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱

中文名称：: (R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱

中文别名：: (R)-(-)-4-硝基-7-(3-氨基吡咯烷-1-基)-2,1,3-苯并恶二唑;
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

英文名称：: 3-Pyrrolidinamine,1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-, (3R)-

英文别名：: (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan;
(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole;
(R)-(-)-NBD-APY;
(3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine

CAS No.：: 143112-51-0

分子式：: C₁₀H₁₁N₅O₃

分子量：: 249.23

精确分子量：: 249.08600

PSA：: 114.00000

MDL：: MFCD00191510

InChI：: InChI=1/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m1/s13

风险术语：: R36/37/38

安全术语：: S26 S36

分子结构式：

SDS：: 查看

(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱物化性质

密度：: 1.494g/cm3
熔点：: -190ºC (dec.)
沸点：: 469.7ºC at 760 mmHg
闪点：: 237.9ºC
折射率：: 1.678
蒸汽压：: 5.37E-09mmHg at 25°C
存储条件/存储方法：: 密封、在2 ºC -8 ºC下保存
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应
其它信息：: 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

(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱安全信息

危险类别码：: R36/37/38
安全说明：: S26
安全标志：: S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：: Xi: Irritant;

(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱 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

Section 1. 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

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2
  Serious eye damage/eye irritation        Category 2A
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Warning
  Hazard statement        Causes 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.

Section 3. 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]

Section 4. 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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry 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 protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. 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.

Section 7. 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.

Section 8. 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.

Section 9. 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]

Section 9. 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

Section 10. 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:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
  NTP =        No data available
  Reproductive toxicity:        No data available

Section 12. 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 Law        No data available
  constant(PaM3/mol):

Section 13. 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.

Section 14. 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]

Section 15. 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

(R)-(-)-4-硝基-7-(3-氨基吡咯啶)苯并呋咱分子结构与计算化学数据

分子结构数据

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

计算化学数据

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