3-Pyrrolidinamine,1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-, (3R)-

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

安全信息

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

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

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