(±)-N,N-二甲基-1-二茂铁基乙胺

(±)-N,N-二甲基-1-二茂铁基乙胺 基本信息
CAS号 31904-34-4 分子式 C14H19FeN
分子量 257.15200 精确质量  257.08700
PSA  3.24000 LogP  2.36080

等价的CAS号:

31904-34-4,31886-58-5,31886-57-4

基本信息 展开↓

CAS号:
31904-34-4
3D弹球模型:
立即前往扯扯看
分子式:
C14H19FeN
分子量:
257.15200
中文名称:
(±)-N,N-二甲基-1-二茂铁基乙胺
英文名称:
(+)-N,N-Dimethyl-1-ferrocenylethylamine
中文别名:
(±)-N,N-二甲基-1-二茂铁基乙胺;
N,N-二甲基-1-二茂铁乙胺;
ALPHA-(N,N-二甲基氨基)乙基二茂铁;
(+/-)-N,N-二甲基-1-二茂铁基乙胺;
α-(N,N-二甲氨基)乙基二茂铁;
[1-(二甲基氨基)乙基]二茂铁
英文别名:
(+)-N,N-Dimethyl-1-ferrocenylethylamine;
(+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE;
N,N-Dimethyl-1-ferrocenylethylamine;
α-(N,N-Dimethylamino)ethylferrocene
精确分子量/精确质量:
257.08700
极性分子表面积/PSA:
3.24000
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:
MFCD01074444
EINECS:
250-862-9
InChI:
The Key: UNMQCGHIBZALKM-UHFFFAOYSA-N

物化性质展开↓

密度:
1.222
折射率:
n20/D 1.587
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

其它信息:

1.         性状:未确定

2.         密度(g/mL,20):1.222

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):未确定

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,0.09KPa):120-121

7.         折射率:n20/D 1.587

8.         闪点(ºC):>110

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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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

安全信息展开↓

危险类别码:
R36/38
安全说明:
S26-S36
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 16940-66-2

    硼氢化钠

  • +

  • 1085568-96-2

    1-ferrocenylethyl amine

  • ~88%

  • 31904-34-4

    (±)-N,N-二甲基-1-二茂铁基乙胺

  • 102-54-5

    二茂铁

  • +

  • 124-40-3

    二甲胺

  • +

  • 123-63-7

    三聚乙醛

  • ~60%

  • 31904-34-4

    (±)-N,N-二甲基-1-二茂铁基乙胺

  • 102-54-5

    二茂铁

  • +

  • 75-07-0

    乙醛

  • +

  • 124-40-3

    二甲胺

  • ~53%

  • 31904-34-4

    (±)-N,N-二甲基-1-二茂铁基乙胺

毒理性展开↓

生态数据:

若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       alpha-(N,N-Dimethylamino)ethylferrocene, 98%    
   CAS Registry Number:       31904-34-4    
   Formula:       (C5H5)Fe(C5H4CH(CH3)N(CH3)2)    
   EINECS Number:       None    
   Chemical Family:       metallocene    
   Synonym:       bis-alpha-(N,N-Dimethylamino)ethylcyclopentadienyl iron    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       31904-34-4       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation of dust. Eyes and skin.    
   Eye Contact:       Causes moderate irritation of the eyes.    
   Skin Contact:       Causes slight to moderate irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   The toxicological properties of this compound have not been thoroughly investigated. Unrecognized hazards
   Chronic Health Affects:
   may be present.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH 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 irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry area away from heat and direct sunlight.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       If possible, handle the 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 with 29 CFR 1910.134.
   Ventilation:       If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       orange liq.    
   Molecular Weight:       257.16    
   Melting Point:       no data    
   Boiling Point:       110°C/0.45mm    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, organic fumes, and iron oxide    

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

SECTION 12: Ecological Information
   Ecological Information:       No information available    

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

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   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 in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       None    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积3.2

7.重原子数量:16

8.表面电荷:0

9.复杂度:105

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:1

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:3

上下游相关产品

上游产品

更多
  • 16940-66-2

    硼氢化钠

  • 1085568-96-2

    1-ferrocenylethyl amine

  • 102-54-5

    二茂铁

  • 75-07-0

    乙醛

  • 124-40-3

    二甲胺

下游产品

更多
  • 1271-51-8

    乙烯基二茂铁

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便