二苯并噻吩

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 下游产品
  • 表征图谱

二苯并噻吩 基本信息

中文名称:
二苯并噻吩 
中文别名:
二苯并噻吩;
二苯并噻吩/硫芴;
二苯噻吩 
英文名称:
Dibenzothiophene
英文别名:
dibenzothiophene;
Diphenylene Sulfide;
[1,1'-Biphenyl]-2,2'-diyl sulfide;
9-Thiafluorene;
2,2'-Biphenylylene sulfide;
Dibenzothiophene;
DBT,Diphenylene sulfide;
Dibenzo(b,d)thiophene;
Diphenylene sulfide;
Diphenylenesulfide;
a-thiafluorene 
CAS No.:
132-65-0
分 子 式:
C12H8S
分 子 量:
184.26
精确分子量:
184.03500
PSA:
28.24000
MDL:
MFCD00004969
EINECS:
205-072-9
BRN:
121101
InChI:
InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
危险品标志:
HarmfulXn
风险术语:
R22
安全术语:
S36
分子结构式:
SDS:
查看

二苯并噻吩 制备方法及用途

制备方法

用途 用于有机合成。化妆品和制药的中间体。

用途简介

用途

用途

     用于有机合成。化妆品和制药的中间体。

二苯并噻吩 物化性质

外观与性状:
黄色至绿色固体
密度:
1.252g/cm3
熔点:
97-100 °C(lit.)
沸点:
332-333 °C(lit.)
闪点:
170 °C
水溶解性:
SOLUBLE
折射率:
1.756
蒸汽压:
0.000281mmHg at 25°C
存储条件/存储方法:

贮存

密封于阴凉处保存

稳定性相关:

基本性质

 无色或白色针状结晶。易溶于乙醇、苯,溶于水、乙醚。熔点97~100℃。沸点332~333℃  。

二苯并噻吩 安全信息

包装等级:
III
风险类别:
9
海关代码:
29349990
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S36
RTECS号:
HQ3490550
安全标志:
S36:穿戴合适的防护服装。
危险标志:
Xn:Harmful;

二苯并噻吩 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ3490550
CHEMICAL NAME :
Dibenzothiophene
CAS REGISTRY NUMBER :
132-65-0
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C12-H8-S

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 :
470 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - coma
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 12,787,1989
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,378,1952 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7480 mg/kg/24W-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Liver - changes in liver weight Endocrine - changes in spleen weight
REFERENCE :
FOREAE Food Research. (Champaign, IL) V.1-25, 1936-60. For publisher information, see JFDSAZ. Volume(issue)/page/year: 7,161,1942 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4832 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)
毒理学数据:

急性毒性数据:

小鼠经口LD50470mg/kg

小鼠腹腔LD>500mg/kg

其他多剂量数据:

大鼠经口TDLo7480mg/kg/24W-I

二苯并噻吩 MSDS

Name: Dibenzothiophene 99% Material Safety Data Sheet
Synonym: 2,2'-Biphenylylene sulfide; 9-Thiafluorene; Dibenzo(b,d)thiophene; Diphenylene sulfide
CAS: 132-65-0
Section 1 - Chemical Product   MSDS Name:Dibenzothiophene 99% Material Safety Data Sheet
Synonym:2,2'-Biphenylylene sulfide; 9-Thiafluorene; Dibenzo(b,d)thiophene; Diphenylene sulfide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
132-65-0 Dibenzothiophene 99 205-072-9
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Harmful if swallowed. Causes gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Chronic ingestion may cause liver damage.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
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:
Vacuum or sweep up material and place into a suitable disposal container. 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. Avoid breathing dust.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 132-65-0: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Crystalline powder
Color: yellow to green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 332 - 333 deg C @ 760 mm Hg
Freezing/Melting Point: 97 - 100 deg C
Autoignition Temperature: > 450 deg C (> 842.00 deg F)
Flash Point: 170 deg C ( 338.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C12H8S
Molecular Weight: 184.26

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 132-65-0: HQ3490550 LD50/LC50:
CAS# 132-65-0: Oral, mouse: LD50 = 470 mg/kg.
Carcinogenicity:
Dibenzothiophene - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 132-65-0: No information available.
Canada
CAS# 132-65-0 is listed on Canada's DSL List.
CAS# 132-65-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 132-65-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二苯并噻吩 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1   摩尔折射率60.32

2   摩尔体积m3/mol):147.1

3   等张比容90.2K):398.0

4   表面张力3.0 dyne/cm):53.5

5   极化率0.5 10-24cm3):23.91

 

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:1

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28.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:170

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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