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1898-66-4价格

1898-66-4

1898-66-4结构式
1898-66-4结构式
  • 常用中文名:2,2-联苯基-1-苦基肼基
  • 常用英文名:DPPH
  • CAS号:1898-66-4
  • 分子式:C18H12N5O6
  • 分子量:394.318
  • 相关类别: 化学试剂 有机试剂
  • 发布时间:2018-06-07 09:16:32
  • 更新时间:2024-01-02 12:24:07
  • DPPH (2,2-Diphenyl-1-picrylhydrazyl) 是一种稳定的自由基,可用于测量抗氧化剂的自由基清除活性。DPPH 中氮原子的奇数电子通过从抗氧化剂吸收氢原子而还原为相应的肼。DPPH 方法可用于水性和非极性有机溶剂中,并可用于检查亲水性和亲脂性抗氧化剂。

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中文名 1,1-二苯-2-苦基肼
英文名 1,1-diphenyl-2-picrylhydrazyl
中文别名 2,2-二苯基-1-苦基肼
2,2-联苯基-1-苦基肼基(freeradical)
A,A二苯基Β苦基肼基游离基
1,1-二苯基-2-苦肼基自由基
1,1-二苯基-2-苦基肼自由基
2,2-联苯基-1-苦基肼基
1,1-二苯基-2-苦基肼
英文别名 DPPH radical
diphenylpicrylhydrazylfreeradical
2,2-Diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl
DPPH
di(phenyl)-(2,4,6-trinitrophenyl)iminoazanium
1,1-Diphenyl-2-picrylhydrazyl Free Radical
2,2-Diphenyl-1-(2,4,6-trinitrophenyl)hydrazino
Hydrazinyl, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)-
Diphenylpicrylhydrazyl.
1,1-Diphenyl-2-picrylhydrazyl radical
2,2-Diphenylpicrylhydrazyl
2,2-diphenyl-1-picrylhydrazyl
1-diphenyl-2-picrylhydrazyl
EINECS 217-591-8
Diphenypicrylhydrazyl
MFCD00007231
描述 DPPH (2,2-Diphenyl-1-picrylhydrazyl) 是一种稳定的自由基,可用于测量抗氧化剂的自由基清除活性。DPPH 中氮原子的奇数电子通过从抗氧化剂吸收氢原子而还原为相应的肼。DPPH 方法可用于水性和非极性有机溶剂中,并可用于检查亲水性和亲脂性抗氧化剂。
相关类别
体外研究 DPPH由于其奇数电子而在517nm处显示出强吸收带,并且溶液呈现深紫色,当电子对断开时吸收消失。得到的脱色相对于吸收的电子数是化学计量的。0.5 mM的酒精溶液颜色密集,在此浓度下,在有用的吸收范围内遵守Lambert-Beer定律[1]。DPPH测定是一种快速,简单,廉价且广泛使用的方法,用于测量化合物作为自由基清除剂或氢供体的能力,并评估食物的抗氧化活性。它还可用于量化复杂生物系统中的抗氧化剂,固体或液体样品。该方法简便,适用于测定果汁和蔬菜汁的总抗氧化能力和自由基清除活性。该试验已成功用于研究小麦籽粒和麸皮,蔬菜,共轭亚油酸,草药,食用种子油和面粉在几种不同溶剂体系中的抗氧化性能,包括乙醇,丙酮水溶液,甲醇,乙醇水溶液和苯。它是一种方便的方法,用于橄榄油,水果,果汁和葡萄酒中半胱氨酸,谷胱甘肽,抗坏血酸,生育酚和多羟基芳香族化合物的抗氧化测定[1]。
参考文献

[1]. Kedare SB, et al. Genesis and development of DPPH method of antioxidant assay. J Food Sci Technol. 2011 Aug;48(4):412-22.

熔点 136-138ºC
分子式 C18H12N5O6
分子量 394.318
精确质量 394.078766
PSA 140.70000
LogP 5.97000
外观性状 green
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,避免氧化物

水溶解性 Soluble in dimethyl formamide, ethanol, chloroform, ether, carbon disulfinde, acetone, oils, carbon tetrachloride, glacial acetic acid and toluene. Insoluble in water.
计算化学

1、 疏水参数计算参考值(XlogP):5.5

2、 氢键供体数量:1

3、 氢键受体数量:8

4、 可旋转化学键数量:4

5、 互变异构体数量:

6、 拓扑分子极性表面积(TPSA):145

7、 重原子数量:29

8、 表面电荷:0

9、 复杂度:549

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:晶体

2. 密度(g/mL,25ºC):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):126-129

5. 沸点(ºC):未确定

6. 沸点(ºC,1mmHg):未确定

7. 折射率:未确定

8. 闪点(°F):未确定

9. 比旋光度(ºF):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,40ºC):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

Name: 2 2-Diphenyl-1-Picrylhydrazyl 97% (UV-Vis) Material Safety Data Sheet
Synonym: Hydrazyl, 2,2-Diphenyl-1-(2,4,6-Trinitrophenyl
CAS: 1898-66-4
Section 1 - Chemical Product MSDS Name:2 2-Diphenyl-1-Picrylhydrazyl 97% (UV-Vis) Material Safety Data Sheet
Synonym:Hydrazyl, 2,2-Diphenyl-1-(2,4,6-Trinitrophenyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1898-66-4 Hydrazyl, 2,2-Diphenyl-1-(2,4,6-Trinit 97 217-591-8
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1898-66-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: black - gold
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 125 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C18H12N5O6
Molecular Weight: 394.32

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1898-66-4: MW3250000 LD50/LC50:
Not available.
Carcinogenicity:
Hydrazyl, 2,2-Diphenyl-1-(2,4,6-Trinitrophenyl) - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1898-66-4: No information available.
Canada
CAS# 1898-66-4 is listed on Canada's NDSL List.
CAS# 1898-66-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1898-66-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、 急性毒性:小鼠经静脉LD50: 1800μg/kg;

生态学数据:

总括注解

水危害级别2(德国规例)(通过名单进行自我评估)该物质对水有稍微危害的。

不要让该产品接触地下水、水道或污水系统。

即使是小量的产品渗入地下也会对饮用水造成危险。

若无政府许可,勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MW3250000
CHEMICAL NAME :
Hydrazyl, 2,2-diphenyl-1-(2,4,6-trinitrophenyl)-
CAS REGISTRY NUMBER :
1898-66-4
BEILSTEIN REFERENCE NO. :
1846081
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H12-N5-O6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06207

符号 GHS08
GHS08
信号词 Danger
危害声明 H317-H334
警示性声明 P261-P280-P342 + P311
危害码 (欧洲) Xn:Harmful;
风险声明 (欧洲) R20/21/22
安全声明 (欧洲) S24/25
危险品运输编码 UN2811
WGK德国 1
RTECS号 MW3250000
包装等级 II
危险类别 6.1