1-丙炔-三-正-丁基锡

1-丙炔-三-正-丁基锡 基本信息
CAS号 64099-82-7 分子式 C15H30Sn
分子量 329.10000 精确质量  330.13700
PSA  0.00000 LogP  5.39800

基本信息 展开↓

CAS号:
64099-82-7
3D弹球模型:
立即前往扯扯看
分子式:
C15H30Sn
分子量:
329.10000
中文名称:
1-丙炔-三-正-丁基锡
英文名称:
tributyl(prop-1-ynyl)stannane
中文别名:
1-丙炔-三-正-丁基锡;
1-丙炔三正丁基锡;
三丁基丙炔锡烷
英文别名:
tributyl(prop-1-ynyl)stannane;
tributyl(prop-1-yn-1-yl)stannane;
(1-propynyl)tri-n-butyltin;
tributyl(1-propynyl)stannane;
tributyl(1-propynyl)tin;
tributyl (1-propyn-1-yl)tin;
(1-propynyl)-tri-n-butylstannane;
TRIBUTYLPROPYNYLSTANNANE;
propynyltributyltin
精确分子量/精确质量:
330.13700
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:
MFCD03265213
EINECS:
000-000-0
PubChem:
24873307
InChI:
InChI=1/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;/rC15H30Sn/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h5-7,9-11,13-15H2,1-4H3

物化性质展开↓

密度:
1.082
沸点:
277ºC(lit.)
闪点:
>230 °F
折射率:
n20/D 1.483(lit.)
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须上锁,钥匙必须交给技术专家和他们的助手保管。储存的地方必须远离氧化剂,冷藏。

稳定性相关:

远离氧化物

其它信息:

1.       性状:无色液体。

2.       密度(g/mL,25/4):1.082

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):277

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:1.483

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(kPa,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:不能溶于水。

安全信息展开↓

包装等级:
II
风险类别:
6.1
海关代码:
2931900090
危险类别码:
21-25-36/38-48/23/25-50/53
安全说明:
35-36/37/39-45-60-61
安全标志:
S35:本物质残余以及它的容器必须用安全方式处置。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
T: Toxic;N: Dangerous for the environment;

合成路线查看所有的合成路线

  • 1461-22-9

    三丁基氯化锡

  • +

  • 4529-04-8

    丙基锂

  • 64099-82-7

    1-丙炔-三-正-丁基锡

毒理性展开↓

生态数据:

对水是极其危害的,即使是小量的。不要让该产品接触地下水,水道污水系统,即使是小量该产品渗入地下水也会对饮用水造成危险,对水中的鱼类和浮游生物也有毒害。对水中有机物质有剧毒。若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Tributylpropynylstannane Material Safety Data Sheet
Synonym: Propynyltributylstannane; Propynyltributyltin
CAS: 64099-82-7
Section 1 - Chemical Product   MSDS Name:Tributylpropynylstannane Material Safety Data Sheet
Synonym:Propynyltributylstannane; Propynyltributyltin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
64099-82-7 Tributylpropynyltin 80 unlisted
Hazard Symbols: T N
Risk Phrases: 21 25 36/38 48/23/25 50/53

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful in contact with skin. Toxic if swallowed. Irritating to eyes and skin. Toxic : danger of serious damage to health by prolonged exposure through inhalation and if swallowed. Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
The critical effect of tributyltin compounds in rats is on the immune system (ACGIH 7th Edition Documentation of the TLVs). Exposure limits have been recommended for organotin compounds to minimize the potential for adverse effects on immune function and the CNS.

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. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing vapor or mist.
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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 64099-82-7: United Kingdom, WEL - TWA: (listed as tin organic compounds): 0.1 mg/m3 TWA (except cyhexatin, as Sn) United Kingdom, WEL - STEL: (listed as tin organic compounds): 0.
mg/m3 STEL (except cyhexatin, as Sn) United States OSHA: 0.1 mg/m3 TWA (as Sn) (listed under Tin orga compounds).
Belgium - TWA: (listed as tin organic compounds): 0.1 mg/m3 VLE ( Sn) Belgium - STEL: (listed as tin organic compounds): 0.2 mg/m3 VLE Sn) France - VME: (listed as tin organic compounds): 0.1 mg/m3 VME (a Sn) France - VLE: (listed as tin organic compounds): 0.2 mg/m3 VLE (a Sn) Germany: (listed as tin organic compounds): 0.1 mg/m3 VME (as Sn) Germany: (listed as tin organic compounds): Skin absorber Malaysia: (listed as tin organic compounds): 0.1 mg/m3 TWA (as Sn Netherlands: (listed as tin organic compounds): 0.2 mg/m3 STEL (a Sn) Netherlands: (listed as tin organic compounds): 0.1 mg/m3 MAC (as Spain: (listed as tin organic compounds): 0.1 mg/m3 VLA-ED (as Sn Spain: (listed as tin organic compounds): 0.2 mg/m3 VLA-EC (as Sn Personal Protective Equipment Eyes: Wear chemical splash goggles.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 270 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.082
Molecular Formula: C15H30Sn
Molecular Weight: 329.11

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Excess heat, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, tin/tin oxides.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 64099-82-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tributylpropynyltin - 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
Shipping Name: ORGANOTIN COMPOUND, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 2788
Packing Group: III
IMO
Shipping Name: ORGANOTIN COMPOUND, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 2788
Packing Group: III
RID/ADR
Shipping Name: ORGANOTIN COMPOUND, LIQUID, N.O.S.
Hazard Class: 6.1
UN Number: 2788
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T N
Risk Phrases:
R 21 Harmful in contact with skin.
R 25 Toxic if swallowed.
R 36/38 Irritating to eyes and skin.
R 48/23/25 Toxic : danger of serious damage to
health by prolonged exposure through inhalation and if
swallowed.
R 50/53 Very toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 35 This material and its container must be
disposed of in a safe way.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 60 This material and its container must be
disposed of as hazardous waste.
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 64099-82-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64099-82-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64099-82-7 is not listed on the TSCA inventory.
It is for research and development use only.


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↓

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:0

4.可旋转化学键数量:10

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:16

8.表面电荷:0

9.复杂度:196

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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