菲醌

菲醌 基本信息
CAS号 84-11-7 分子式 C14H8O2
分子量 208.21200 精确质量  208.05200
PSA  34.14000 LogP  2.73260

基本信息 展开↓

CAS号:
84-11-7
3D弹球模型:
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分子式:
C14H8O2
分子量:
208.21200
中文名称:
菲醌
英文名称:
9,10-phenanthroquinone
中文别名:
菲醌;
9,10-菲蒽;
9,10-菲二酮;
菲醌 PHENANTHRENEQUINONE
英文别名:
9,10-phenanthroquinone;
phenanthrene-9,10-dione;
Phenanthrenequinone
精确分子量/精确质量:
208.05200
极性分子表面积/PSA:
34.14000
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:
MFCD00001163
EINECS:
201-515-5
BRN:
608838
InChI:
InChI=1/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

生产制备方法及用途展开↓

合成制备方法


由菲氧化制成,有化学法及电解法。1.化学法用重铬酸钠(或钾)与菲在硫酸水溶液中氧化。2.电解氧化法电解液含三氧化铬120g/L、硫酸450g/L,含菲35g/L。阴极电流密度3.75A/cm2,电解液温度60-65℃,经电解8h后,过滤,得产品。



用途


菲醌本身是农药,可以用作杀菌剂、拌种剂、电子照相,可用作光导材料、光敏阻焊剂和纸张防腐剂。

物化性质展开↓

外观与性状:
黄色晶体粉末
密度:
1.405
熔点:
209-212 °C(lit.)
沸点:
360 °C
闪点:
245 °C
折射率:
1.659
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

本品可通过皮肤吸收中毒。动物试验结果,小鼠经口最低中毒量20mg/kg(连续一日)。操作人员应穿戴防护用具。
 

其它信息:

1.       性状:橙黄色针状结晶。

2.       密度(g/mL,25/4℃):1.405

3.       相对密度(20℃,4℃):1.40522

4.       熔点(ºC):209℃

5.       沸点(ºC,常压):360℃以上

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:不溶于水,微溶于乙醇、苯、醋酸乙酯,溶于乙醚和热醋酸

 

安全信息展开↓

包装等级:
III
风险类别:
9
海关代码:
29146990
WGK_Germany:
3
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-S24/25-S22
RTECS号:
SF7875000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant

合成路线查看所有的合成路线

  • 77488-22-3

    10-hydroxyphenanthren-9(10H)-one

  • ~99%

  • 84-11-7

    菲醌

  • 484-17-3

    9-羟基菲

  • ~99%

  • 84-11-7

    菲醌

  • 85-01-8

  • ~98%

  • 84-11-7

    菲醌

化学图谱

  1. 9,10-菲醌质谱(MS)

  2. 9,10-菲醌核磁图(13CNMR)

  3. 9,10-菲醌红外图谱(IR1)

  4. 9,10-菲醌红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SF7875000
CHEMICAL NAME :
Phenanthrenequinone
CAS REGISTRY NUMBER :
84-11-7
BEILSTEIN REFERENCE NO. :
0608838
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C14-H8-O2
MOLECULAR WEIGHT :
208.22
WISWESSER LINE NOTATION :
L B666 HVVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
165 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg/29W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
400 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 66,337,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5889 No. of Facilities: 306 (estimated) No. of Industries: 4 No. of Occupations: 4 No. of Employees: 3675 (estimated) No. of Female Employees: 632 (estimated)
毒理学数据:

急性毒性:

小鼠腹腔LD50: 165mg/kg;

2、  慢性毒性/致癌性:小鼠皮肤TDL0:800 mg/kg/29W-C

3、  致畸性

沙门氏菌:30 umol/L;

枯草烟包杆菌:400ug/plate

MSDS 展开↓

Name: Phenanthrenequinone 98% (uv-vis) Material Safety Data Sheet
Synonym:
CAS: 84-11-7
Section 1 - Chemical Product   MSDS Name:Phenanthrenequinone 98% (uv-vis) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
84-11-7 Phenanthrenequinone, tech. 80% 201-515-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.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 gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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# 84-11-7: 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: Granules
Color: orange-red
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 360 deg C
Freezing/Melting Point: 209.00 - 211.00 C
Autoignition Temperature: 630 deg C ( 1,166.00 deg F)
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C14H8O2
Molecular Weight: 208.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 84-11-7: SF7875000 LD50/LC50:
Not available.
Carcinogenicity:
Phenanthrenequinone, tech. - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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# 84-11-7: No information available.
Canada
CAS# 84-11-7 is listed on Canada's NDSL List.
CAS# 84-11-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84-11-7 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↓

分子结构数据


1、   摩尔折射率:58.66

2、   摩尔体积(cm3/mol):159.0

3、   等张比容(90.2K):434.8

4、   表面张力(dyne/cm):55.8

5、   极化率(10-24cm3):23.25

计算化学数据


1、  疏水参数计算参考值(XlogP):2.5

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:0

5、  拓扑分子极性表面积(TPSA):34.1

6、  重原子数量:16

7、  表面电荷:0

8、  复杂度:289

9、  同位素原子数量:0

10、       确定原子立构中心数量:0

11、       不确定原子立构中心数量:0

12、       确定化学键立构中心数量:0

13、       不确定化学键立构中心数量:0

14、       共价键单元数量:1

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