1,2-二(膦酰基)苯

1,2-二(膦酰基)苯 基本信息
CAS号 80510-04-9 分子式 C6H8P2
分子量 142.07500 精确质量  142.01000
PSA  27.18000 LogP  0.68740

基本信息 展开↓

CAS号:
80510-04-9
3D弹球模型:
立即前往扯扯看
分子式:
C6H8P2
分子量:
142.07500
中文名称:
1,2-二(膦酰基)苯
英文名称:
(2-phosphanylphenyl)phosphane
中文别名:
1,2-二(膦酰基)苯;
1,2-双(膦酰)苯
英文别名:
(2-phosphanylphenyl)phosphane;
1,2-diphosphinobenzene;
1,2-Phenylenediphosphane
精确分子量/精确质量:
142.01000
极性分子表面积/PSA:
27.18000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00142463
PubChem:
24868239
InChI:
The Key: DKFDVEXWZZOMGS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.101 g/mL at 25ºC(lit.)
沸点:
53-55ºC 0,25mm
闪点:
102.1ºC
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):1.101

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):53-55

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

安全信息展开↓

海关代码:
2931900090
危险类别码:
R17
安全说明:
7/8-26-36/37/39-43-27-16
安全标志:
S16:远离火源。
S17:远离可燃物质。
:
危险标志:
F: Flammable;

合成路线查看所有的合成路线

  • 15104-46-8

    1,2-双(二甲氧基磷基)-苯

  • ~79%

  • 80510-04-9

    1,2-二(膦酰基)苯

  • 82495-67-8

    1,2-双(二氯膦酰)苯

  • ~69%

  • 80510-04-9

    1,2-二(膦酰基)苯

  • 71838-15-8

    phenylene-1,2-diphosphonic acid tetraethyl ester

  • ~50%

  • 80510-04-9

    1,2-二(膦酰基)苯

毒理性展开↓

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。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       1,2-Bis(phosphino)benzene, 98+%    
   CAS Registry Number:       80510-04-9    
   Formula:       C6H4(PH2)2    
   EINECS Number:       none    
   Chemical Family:       organophosphine ligand    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       80510-04-9       100%       no data       no data    

Section 3: Hazards Identification
   Harmful by inhalation, in contact with skin and if swallowed. May ignite spontaneously on contact with air.
   Emergency Overview:
   Contact with skin may result in severe chemical burns.
   Primary Routes of Exposure:       Skin and inhalation    
   Eye Contact:       May cause mild to severe irritation of the eyes.    
   Skin Contact:       Harmful in contact with skin. May cause mild irritation of the skin, or thermal burns if ignited.    
   Inhalation:       Harmful by inhalation. Inhalation may lead to dizziness and headaches.    
   Harmful if swallowed. Ingestion is an unlikely mode of entry as the material is pyrophoric and has a noxious
   Ingestion:
   odor.
   Acute Health Affects:       Harmful by inhalation, in contact with skin and if swallowed.    
   Chronic Health Affects:       No information available on long term exposure to this material.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 15 minutes. A victim will need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area immediately with water. Remove contaminated clothing if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove victim to fresh air immediately. Keep the victim lying down and warm. Give oxygen as soon as
   Inhalation:
   possible. If shock occurs, respond with appropriate first aid. Transport the victim to a hospital.
   Seek medical attention immediately. Keep the victim calm. Give water to dilute the toxin (only if conscious).
   Ingestion:
   Induce vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       Pyrophoric    
   Explosion Limits:       Pyrophoric    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   The pyrophoric liquid may reignite. Fire fighters should be equipped with an approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes and vapors of phosphorus pentoxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Spontaneously flammable in air, especially in contact with organic matter such as paper or cloth.

SECTION 6: Accidental Release Measures
   'The material may ignite spontaneously in air. Avoid static discharge. Burning material may release
   toxic fumes. In case of poor ventilation, leave the area unless fitted with a self-contained breathing apparatus.
   Spill and Leak Procedures:
   Small spills can be mixed with ground limestone, sodium bicarbonate, or other suitable absorbents, swept up,
   and held in a closed metal can.

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep away from heat.
   Handling and Storage:       Material should be transferred under an inert atmosphere of nitrogen or argon in a efficient fume hood. Fire    
   may occur in emptied container and transfer lines.

SECTION 8: Exposure Controls and Personal Protection
   Always wear approved safety glasses. When handling this substance wear a face shield as added protection.
   Eye Protection:
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material has a pungent odor. Always handle material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance 29 CFR 1910.134.
   Ventilation:       Material has a pungent odor. Always handle material in an efficient fume hood.    
   Additional Protection:       Wear a full face shield, flame resistant lab apron and suitable gloves.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       colorless liq.    
   Molecular Weight:       142.08    
   Melting Point:       no data    
   Boiling Point:       53-55°C /0.25mm    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       pungent and noxious odor    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air-sensitive, pyrophoric liquid    
   Hazardous Polymerization:       no hazardous polymerization    
   Contact with air. Material may spontaneously ignite, especially in the presence of organic matter such as
   Conditions to Avoid:
   paper or cloth.
   Incompatibility:       oxidizing agents, halogens, air (pyrophoric), halocarbons, sulfur.    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic vapors, and phosphorus pentoxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       No information available.    
   Mutagenic Effects:       No information available.    
   Tetratogenic Effects:       No information available.    

SECTION 12: Ecological Information
   Ecological Information:       No information available.    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of this material according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Pyrophoric liquids, organic, N.O.S.    
   Hazard Class (CFR):       4.2    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       I    
   UN ID Number (CFR):       UN# 2845    
   Shipping Name (IATA):       Forbidden    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       not listed on the TSCA inventory    
   SARA (Title 313):       not regulated by SARA 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2931900090

概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据


1.疏水参数计算参考值(XlogP):1

2.氢键供体数量:0

3.氢键受体数量:0

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0

7.重原子数量:8

8.表面电荷:0

9.复杂度:62.9

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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