二苯硒醚

二苯硒醚 基本信息
CAS号 1132-39-4 分子式 C12H10Se
分子量 233.16800 精确质量  233.99500
PSA  0.00000 LogP  1.34160

基本信息 展开↓

CAS号:
1132-39-4
3D弹球模型:
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分子式:
C12H10Se
分子量:
233.16800
中文名称:
二苯硒醚
英文名称:
phenylselanylbenzene
中文别名:
二苯硒醚;
二苯基硒醚;
二苯硒
英文别名:
phenylselanylbenzene;
Diphenyl selenide;
1,1'-Selenobisbenzene;
PHENYL SELENIDE;
Benzene,1,1'-selenobis;
Selenide,phenyl;
Biphenyl selenide;
Diphenyl selenium;
Biphenyl selenium
精确分子量/精确质量:
233.99500
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:
MFCD00014067
EINECS:
214-474-2
PubChem:
24873185
InChI:
The Key: ORQWTLCYLDRDHK-UHFFFAOYSA-N

物化性质展开↓

密度:
1.338 g/mL at 25ºC(lit.)
熔点:
3ºC
沸点:
115-117ºC(lit.)
闪点:
>230 °F
折射率:
n20/D 1.6465(lit.)
蒸汽压:
0.00188mmHg at 25°C
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、空气、水分/潮湿

其它信息:

1.       性状:液体

2.       密度(g/mL,25):1.338

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):3

5.       沸点(ºC,常压):115-117

6.       沸点(ºC,4mm):未确定

7.       折射率(n20/D1.6465

8.       闪点(ºF):>230

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(mmHg,20ºC):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:难溶解于水的

安全信息展开↓

包装等级:
II
风险类别:
6.1
海关代码:
2931900090
危险标志:
T,N

合成路线查看所有的合成路线

  • 7304-91-8

    phenylseleninylbenzene

  • ~99%

  • 107-46-0

    六甲基二硅氧烷

  • +

  • 1132-39-4

    二苯硒醚

  • 591-50-4

    碘苯

  • +

  • 630-10-4

    硒脲

  • ~99%

  • 1132-39-4

    二苯硒醚

  • 591-50-4

    碘苯

  • +

  • 1666-13-3

    二苯基二硒醚

  • ~99%

  • 1132-39-4

    二苯硒醚

化学图谱

  1. 硒化联苯核磁图(1HNMR)

  2. 硒化联苯核磁图(13CNMR)

  3. 硒化联苯质谱(MS)

  4. 硒化联苯红外图谱(IR3)

  5. 硒化联苯红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SX1825000
CHEMICAL NAME :
Phenyl selenide
CAS REGISTRY NUMBER :
1132-39-4
LAST UPDATED :
199712
DATA ITEMS CITED :
25
MOLECULAR FORMULA :
C12-H10-Se
MOLECULAR WEIGHT :
233.18
WISWESSER LINE NOTATION :
R-SE-R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - other changes
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 20,89,1971 *** REVIEWS *** ACGIH TLV-TWA 0.2 mg(Se)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.2 mg(Se)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,224,1971 OSHA PEL (Gen Indu):8H TWA 0.2 mg(Se)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.2 mg(Se)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.2 mg(Se)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.2 mg(Se)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-BELGIUM:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-DENMARK:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-FINLAND:TWA 0.1 mg(Se)/m3;STEL 0.3 mg(Se)/m3 JAN 1993 OEL-GERMANY:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-HUNGARY:STEL 0.1 mg(Se)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-POLAND:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-SWEDEN:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(Se)/m3 JAN 1993 OEL-TURKEY:TWA 0.2 mg(Se)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg(Se)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV
毒理学数据:

1、急性毒性:大鼠口经LD50360mg/kg:精神萎靡,呼吸困难

生态数据:

对水是极其危害的,即使是少量产品渗入地下也会对饮用水造成危害,若无政府许可勿将产品排入周围环境。对水中有机物有危害

MSDS 展开↓

Name: Diphenylselenide 95% Material Safety Data Sheet
Synonym: Diphenyl selenium; Phenylselenide; 1,1'-Selenobisbenzene; Benzene, 1,1'-selenobis- (9 CI); Biphenyl selenide; Biphenyl selenium; Difenylselenium; Phenyl selenid
CAS: 1132-39-4
Section 1 - Chemical Product   MSDS Name:Diphenylselenide 95% Material Safety Data Sheet
Synonym:Diphenyl selenium; Phenylselenide; 1,1'-Selenobisbenzene; Benzene, 1,1'-selenobis- (9 CI); Biphenyl selenide; Biphenyl selenium; Difenylselenium; Phenyl selenid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1132-39-4 Diphenylselenide 95 214-474-3
Hazard Symbols: T
Risk Phrases: 23/25 33

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation and if swallowed. Danger of cumulative effects.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Vapors cause eye irritation.
Skin:
May cause skin irritation. May be absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. The toxicological properties of this substance have not been fully investigated. May cause dyspnea (difficult or labored breathing). Vapors cause irritation of the respiratory system.
Chronic:
Prolonged or repeated skin contact may cause dermatitis. Chronic selenium poisoning is characterized by loss of hair and nails, skin lesions, and abnormalities of the nervous system.

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:
Call a poison control center. 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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. 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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood. Wash clothing before reuse.
Storage:
Keep container closed when not in use. 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 only under a chemical fume hood.
Exposure Limits CAS# 1132-39-4: United Kingdom, WEL - TWA: (listed as selenium compounds): 0.1 mg TWA (except hydrogen selenide, as Se) United Kingdom, WEL - STEL: (listed as selenium compounds): 0.3 m STEL (except hydrogen selenide, as Se) United States OSHA: 0.2 mg/m3 TWA (as Se) (listed under Selenium compounds).
Belgium - TWA: (listed as selenium compounds): 0.2 mg/m3 VLE (as Japan: (listed as selenium compounds): 0.1 mg/m3 OEL (except SeH2 SeF6, as Se) Malaysia: (listed as selenium compounds): 0.2 mg/m3 TWA (as Se) Netherlands: (listed as selenium compounds): 0.1 mg/m3 MAC (as Se Spain: (listed as selenium compounds): 0.1 mg/m3 VLA-ED (except hydrogen selenide, as Se) 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:
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: clear yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 115 - 117 deg C @ 1.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 230 deg F (> 110.00 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3380g/cm3
Molecular Formula: C12H10Se
Molecular Weight: 233.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, selenium/selenium oxides.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1132-39-4: SX1825000 LD50/LC50:
CAS# 1132-39-4: Oral, rat: LD50 = 360 mg/kg.
Carcinogenicity:
Diphenylselenide - 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
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/25 Toxic by inhalation and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 20/21 When using do not eat, drink or smoke.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 1132-39-4: No information available.
Canada
CAS# 1132-39-4 is listed on Canada's NDSL List.
CAS# 1132-39-4 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1132-39-4 is listed on the TSCA inventory.


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↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:233.994772 Da

8、标称质量:234 Da

9、平均质量:233.1678 Da

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:2

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:13

8.表面电荷:0

9.复杂度:116

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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