正丁基二茂铁

正丁基二茂铁 基本信息
CAS号 31904-29-7 分子式 C14H18Fe
分子量 242.13800 精确质量  242.07600
PSA  0.00000 LogP  3.60090

基本信息 展开↓

CAS号:
31904-29-7
3D弹球模型:
立即前往扯扯看
分子式:
C14H18Fe
分子量:
242.13800
中文名称:
正丁基二茂铁
英文名称:
Butylferrocene
中文别名:
正丁基二茂铁;
丁基二茂铁
英文别名:
Butylferrocene;
1,1'-di-n-butylferrocene;
n-Butylcyclopentadienyl cyclopentadienyliron;
N-BUTYLFERROCENE;
1,1'-di-n-butylferrocenium;
Ferrocene,butyl;
butyl-ferrocen
精确分子量/精确质量:
242.07600
极性分子表面积/PSA:
0.00000
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:
MFCD00001435
EINECS:
250-862-9
PubChem:
24859494
InChI:
InChI=1/C9H13.C5H5.Fe/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;/h4-5,7-8H,2-3,6H2,1H3;1-5H;

生产制备方法及用途展开↓

制备方法


1、用作电子工业的助剂

用途简介


用途


1、   用作电子工业的助剂

物化性质展开↓

外观与性状:
暗橙色液体
密度:
1.172
熔点:
10 - 12ºC
沸点:
232 °C (630 mmHg)
闪点:
>110°C
水溶解性:
不溶
折射率:
1.576-1.579
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:红色或黑色液体

2.         密度(g/mL,20):1.172

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,84KPa):232

7.         折射率:n20/D 1.576-1.579

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):5.3×10-2

12.      饱和蒸气压(KPa,20ºC):1

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:不溶于水

安全信息展开↓

包装等级:
II
风险类别:
6.1
海关代码:
29333999
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R25:Toxic if swallowed.
安全说明:
24/25
RTECS号:
US7548000
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn,Xi,T

合成路线查看所有的合成路线

  • 7439-89-6

  • +

  • 766-29-0

    Spiro(4.4)nona-1,3-diene

  • 31904-29-7

    正丁基二茂铁

  • +

  • 1272-68-0

    bis(4,5,6,7-tetrahydroindenyl)iron(II)

化学图谱

  1. 丁基二茂铁红外图谱(IR1)

  2. 丁基二茂铁红外图谱(IR2)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: n-Butylferrocene Material Safety Data Sheet
Synonym:
CAS: 31904-29-7
Section 1 - Chemical Product   MSDS Name:n-Butylferrocene Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
31904-29-7 n-Butylferrocene 250-862-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Air sensitive.
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.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 31904-29-7: Personal Protective Equipment Eyes: Not available.
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: Liquid
Color: orange - brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 232 deg C @ 630.00m
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 242.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 31904-29-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
n-Butylferrocene - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 31904-29-7: No information available.
Canada
CAS# 31904-29-7 is listed on Canada's DSL List.
CAS# 31904-29-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 31904-29-7 is listed on the TSCA inventory.


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:2

4.可旋转化学键数量:3

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:15

8.表面电荷:0

9.复杂度:119

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:3

上下游相关产品

上游产品

更多
  • 7439-89-6

  • 766-29-0

    Spiro(4.4)nona-1,3-diene

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便