9-二氰亚甲基-2,4,7-三硝基芴

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 表征图谱

9-二氰亚甲基-2,4,7-三硝基芴 基本信息

中文名称:
9-二氰亚甲基-2,4,7-三硝基芴 
中文别名:
9-二氰亚甲基-2,4,7-三硝基芴;
9-二氰基亚甲基-2,4,6-三硝基芴 
英文名称:
Propanedinitrile,2-(2,4,7-trinitro-9H-fluoren-9-ylidene)-
英文别名:
2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile;
DTNF;
2,4,7-trinitro-9-(dicyanomethylene)fluorene;
(2,4,7-trinitro-9-fluorenylidene)malononitrile;
(2,4,7-trinitro-9H-fluoren-9-ylidene)propanedinitrile;
9-(Dicyanomethylene)-2,4,7-trinitrofluorene;
2,4,7-Trinitrofluoren-9-ylidene malodinitrile;
Propanedinitrile,(2,4,7-trinitro-9H-fluoren-9-ylidene);
EINECS 214-629-5;
(2,4,7-trinitrofluoren-9-ylidene)malononitrile;
2-(2,4,7-trinitro-9H-fluoren-9-ylidene)propanedicarbonitrile 
CAS No.:
1172-02-7
分 子 式:

C16H5N5O6

分 子 量:
363.24
精确分子量:
363.02400
PSA:
185.04000
EINECS:
214-629-5
InChI:
InChI=1/C17H7N5O7/c18-6-13(15(23)7-19)16-11-3-8(20(24)25)1-2-10(11)17-12(16)4-9(21(26)27)5-14(17)22(28)29/h1-5,15,23H
危险品标志:

 

风险术语:

R20/21/22

安全术语:
S22-36/37
分子结构式:
SDS:
查看

9-二氰亚甲基-2,4,7-三硝基芴 物化性质

密度:
1.733g/cm3
熔点:
265-267ºC
沸点:
711.3ºC at 760 mmHg
闪点:
384ºC
折射率:
1.754
蒸汽压:
3.12E-21mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

 

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:未确定

2.       密度(g/cm3,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):265-267

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,0.5mmHg):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(mmHg,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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

9-二氰亚甲基-2,4,7-三硝基芴 安全信息

海关代码:
2926909090
危险类别码:
R20/21/22
安全说明:
S22
危险标志:
Xn:Harmful;

9-二氰亚甲基-2,4,7-三硝基芴 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

9-二氰亚甲基-2,4,7-三硝基芴 MSDS

Name: (2 4 7-Trinitro-9-Fluorenylidene)Malononitrile 98% Material Safety Data Sheet
Synonym: 9-Dicyanomethylene-2,4,7-Trinitrofluorene; (2,4,7-Trinitro-9-fluorenylidene)Propanedinitrile
CAS: 1172-02-7
Section 1 - Chemical Product   MSDS Name:(2 4 7-Trinitro-9-Fluorenylidene)Malononitrile 98% Material Safety Data Sheet
Synonym:9-Dicyanomethylene-2,4,7-Trinitrofluorene; (2,4,7-Trinitro-9-fluorenylidene)Propanedinitrile

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1172-02-7 (2,4,7-Trinitro-9-Fluorenylidene)Malon 98% 214-629-5
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. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
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:
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:

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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. 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# 1172-02-7: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: yellow-green
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 265.00 - 267.00 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: C16H5N5O6
Molecular Weight: 363.25

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, reducing agents, strong bases, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1172-02-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2,4,7-Trinitro-9-Fluorenylidene)Malononitrile - Not listed by ACGIH, IARC, or NTP.

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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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# 1172-02-7: No information available.
Canada
CAS# 1172-02-7 is listed on Canada's NDSL List.
CAS# 1172-02-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1172-02-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

9-二氰亚甲基-2,4,7-三硝基芴 海关数据

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 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:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

9-二氰亚甲基-2,4,7-三硝基芴 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:86.73

2、   摩尔体积m3/mol212.5

3、   等张比容90.2K674.7

4、   表面张力dyne/cm: 101.6

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:34.38

计算化学数据

1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积185

7.重原子数量:27

8.表面电荷:0

9.复杂度:800

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

9-二氰亚甲基-2,4,7-三硝基芴 表征图谱

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