1,1-二苯基-2-苦基肼

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 下游产品
  • 表征图谱

1,1-二苯基-2-苦基肼 基本信息

中文名称:
1,1-二苯基-2-苦基肼 
中文别名:
1,1-二苯-2-苦基肼;
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 
英文名称:
1,1-diphenyl-2-picrylhydrazyl
英文别名:
1,1-DIPHENYL-2-PICRYLHYDRAZYL;
Diphenypicrylhydrazyl;
1,1-Diphenyl-2-picrylhydrazyl Free Radical;
Diphenylpicrylhydrazyl.;
2,2-Diphenylpicrylhydrazyl;
DPPH radical;
2,2-Diphenyl-1-picrylhydrazyl;
diphenylpicrylhydrazylfreeradical;
1-diphenyl-2-picrylhydrazyl;
2,2-DIPHENYL-1-PICRYLHYDRAZYL;
1,1-Diphenyl-2-picrylhydrazyl radical;
DPPH 
CAS No.:
1898-66-4
分 子 式:
C18H12N5O6
分 子 量:
394.32
精确分子量:
394.07900
PSA:
140.70000
MDL:
MFCD00007231
EINECS:
217-591-8
InChI:
InChI=1/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
风险术语:
42/43
分子结构式:
SDS:
查看

1,1-二苯基-2-苦基肼 制备方法及用途

制备方法

生化研究

用途简介

1,1-二苯基-2-苦基肼 物化性质

熔点:
136-138ºC
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,避免氧化物

        

其它信息:

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

1,1-二苯基-2-苦基肼 安全信息

包装等级:
II
风险类别:
6.1
危险类别码:
R20/21/22
安全说明:
S24/25
危险标志:
Xn:Harmful;

1,1-二苯基-2-苦基肼 毒理性

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
毒理学数据:

1、   急性毒性:小鼠经静脉LD50: 1800μg/kg;

生态数据:

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。

1,1-二苯基-2-苦基肼 MSDS

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

1,1-二苯基-2-苦基肼 分子结构与计算化学数据

计算化学数据

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

1,1-二苯基-2-苦基肼 表征图谱

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