1,1,4,4-四苯基1,3-丁二烯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

1,1,4,4-四苯基1,3-丁二烯 基本信息

中文名称:
1,1,4,4-四苯基1,3-丁二烯 
中文别名:
1,1,4,4-甲苯基-1,3-丁二烯;
1,1',1'',1'''-(1,3-丁二烯-1,4-二基亚基)四苯;
1,1,4,4-四苯基1,3-丁二烯;
1,1,4,4-四苯基-1,3-丁二烯 
英文名称:
Benzene,1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
英文别名:
1,1,4,4-Tetraphenyl-1,3-butadiene;
1,4,4-triphenylbuta-1,3-dienylbenzene 
CAS No.:
1450-63-1
分 子 式:
C28H22
分 子 量:
342.23
精确分子量:
358.17200
PSA:
0.00000
MDL:
MFCD00004766
EINECS:
215-914-7
BRN:
1914229
InChI:
InChI=1/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
危险品标志:
IrritantXi
风险术语:
R36/37/38
安全术语:
S24/25
分子结构式:
SDS:
查看

1,1,4,4-四苯基1,3-丁二烯 物化性质

外观与性状:
白色至黄色白色针状
密度:
1.079 g/cm3
熔点:
207-209 °C(lit.)
沸点:
556.1ºC at 760 mmHg
闪点:
289ºC
折射率:
1.635
蒸汽压:
7.77E-12mmHg at 25°C
存储条件/存储方法:

密封、在2 ºC -8 ºC下保存

 

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:带白色纤维。

2.       密度(g/mL,25/4): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):207-209

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa): 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(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:未确定

1,1,4,4-四苯基1,3-丁二烯 安全信息

WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
RTECS号:
CY9040630
危险标志:
Xi: Irritant;

1,1,4,4-四苯基1,3-丁二烯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY9040630
CHEMICAL NAME :
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CAS REGISTRY NUMBER :
1450-63-1
BEILSTEIN REFERENCE NO. :
1914229
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C28-H22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>14 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJTXAZ European Journal of Toxicology and Environmental Hygiene. (Paris, France) V.7-9, 1974-76. For publisher information, see TOERD9. Volume(issue)/page/year: 9,99,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJTXAZ European Journal of Toxicology and Environmental Hygiene. (Paris, France) V.7-9, 1974-76. For publisher information, see TOERD9. Volume(issue)/page/year: 9,99,1976
毒理学数据:

急性毒性:小鼠腹经LD50>10gm/kg;小鼠口经LD50>14gm/kg

生态数据:

对是水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。

1,1,4,4-四苯基1,3-丁二烯 MSDS

Name: 1 1 4 4-Tetraphenyl-1 3-Butadiene Scintillation Grade 99+% Material Safety Data Sheet
Synonym: None
CAS: 1450-63-1
Section 1 - Chemical Product   MSDS Name:1 1 4 4-Tetraphenyl-1 3-Butadiene Scintillation Grade 99+% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1450-63-1 Benzene,1,1',1'',1'''-(1,3-butadiene-1 99+ 215-914-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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. The toxicological properties of this substance have not been fully investigated.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
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. Remove contaminated clothing and wash before reuse. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1450-63-1: 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: Needles
Color: white to yellow white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 196.00 - 198.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C28H22
Molecular Weight: 358.47

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.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1450-63-1: CY9040630 LD50/LC50:
CAS# 1450-63-1: Oral, mouse: LD50 = >14 gm/kg.
Carcinogenicity:
Benzene,1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrkis- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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.
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# 1450-63-1: No information available.
Canada
CAS# 1450-63-1 is listed on Canada's NDSL List.
CAS# 1450-63-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1450-63-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,1,4,4-四苯基1,3-丁二烯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:119.05

2、   摩尔体积m3/mol332.1

3、   等张比容90.2K857.8

4、   表面张力dyne/cm: 44.4

5、   介电常数:无可用

6、   偶极距10-24cm3:无可用

7、   极化率:47.19

计算化学数据

1.疏水参数计算参考值(XlogP):8.6

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:5

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:28

8.表面电荷:0

9.复杂度:412

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

1,1,4,4-四苯基1,3-丁二烯 下游产品

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