4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 基本信息

中文名称:
4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 
中文别名:
4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑;
4-苄基氨基-7-硝基苯并-2-氧杂-1,3-二唑;
4-苄基氨基-7-硝基苯并氧杂恶二唑;
4-苄基氨基-7-硝基苯并氧杂恶二唑(BBD) 
英文名称:
2,1,3-Benzoxadiazol-4-amine,7-nitro-N-(phenylmethyl)-
英文别名:
7-benzylamino-4-nitrobenz-2-oxa-1,3-diazole;
7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazol;
7-Benzylamino-4-nitro-benzofurazan;
4-Benzylamino-7-nitro-2,1,3-benzoxadiazole;
N-benzyl-4-nitro-2,1,3-benzoxadiazol-7-amine;
N-benzyl-7-nitro-2,1,3-benzoxadiazol-4-amine;
4-Benzylamino-7-nitro-2,1,3-benzoxadiazole (BBD);
N-Benzyl-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine;
4-Benzylamino-7-nitrobenzofurazan;
4-Benzylamino-7-nitrobenz-2-oxa-1,3-diazole 
CAS No.:
18378-20-6
分 子 式:
C13H10N4O3
分 子 量:
270.25
精确分子量:
270.07500
PSA:
96.77000
MDL:
MFCD00038006
EINECS:
242-261-5
InChI:
InChI=1/C13H10N4O3/c18-17(19)11-7-6-10(12-13(11)16-20-15-12)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2
风险术语:
R36/37/38
安全术语:
S24/25
分子结构式:
SDS:
查看

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 制备方法及用途

制备方法

蛋白质荧光探针。

用途简介

用途

   蛋白质荧光探针。

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 物化性质

外观与性状:
棕色粉末
密度:
1.462 g/cm3
熔点:
206-209ºC
沸点:
468ºC at 760 mmHg
闪点:
236.9ºC
折射率:
1.723
蒸汽压:
6.2E-09mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):206-209

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 安全信息

海关代码:
2921499090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 MSDS

Name: Bbd Material Safety Data Sheet
Synonym: 4-Benzylamino-7-nitrobenzofurazan; 7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole
CAS: 18378-20-6
Section 1 - Chemical Product   MSDS Name:Bbd Material Safety Data Sheet
Synonym:4-Benzylamino-7-nitrobenzofurazan; 7-Benzylamino-4-nitrobenz-2-oxa-1,3-diazole

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
18378-20-6 Bbd ca.100 242-261-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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:
Never give anything by mouth to an unconscious person. 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:
Treat symptomatically and supportively.

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Keep container closed when not in use. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 18378-20-6: 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. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: brown
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 206.00 - 209.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H10N4O3
Molecular Weight: 270.25

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 18378-20-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bbd - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 18378-20-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18378-20-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18378-20-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 海关数据

中国海关编码:2921499090

概述:
2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-苄氨基-7-硝基苯并-2-氧杂-1,3-二唑 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:73.21

2   摩尔体积m3/mol):184.7

3   等张比容90.2K):139.9

4   表面张力3.0 dyne/cm):72.8

5   极化率0.5 10-24cm3):29.02

计算化学数据

1.疏水参数计算参考值(XlogP):2.5

2.氢键供体数量:1

3.氢键受体数量:6

4.可旋转化学键数量:3

5.互变异构体数量:4

6.拓扑分子极性表面积96.8

7.重原子数量:20

8.表面电荷:0

9.复杂度:343

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

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