1-羟基-9-芴酮

1-羟基-9-芴酮 基本信息
CAS号 6344-60-1 分子式 C13H8O2
分子量 196.20100 精确质量  196.05200
PSA  37.30000 LogP  2.60360

基本信息 展开↓

CAS号:
6344-60-1
3D弹球模型:
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分子式:
C13H8O2
分子量:
196.20100
中文名称:
1-羟基-9-芴酮
英文名称:
1-HYDROXY-9-FLUORENONE
中文别名:
1-羟基-9-芴酮;
1-Hydroxy-9-Fluorenone 1-Hydroxy-9h-Fluoren-9-One 1-Hydroxy-Fluoren-9-One 1-Hydroxyfluoren-9-One 9h-Fluoren-9-One,1-Hydroxy-
英文别名:
1-HYDROXY-9-FLUORENONE;
1-hydroxy-9-fluorene;
1-hydroxyfluorenone;
9H-Fluoren-9-one,1-hydroxy;
1-HYDROXY-9H-FLUOREN-9-ONE;
1-Hydroxy-fluoren-9-one;
1-hydroxyfluoprenone
精确分子量/精确质量:
196.05200
极性分子表面积/PSA:
37.30000
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:
MFCD00044706
EINECS:
228-746-4
PubChem:
24853575
InChI:
The Key: QUUNMPSDKIURJD-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
黄色至橙色结晶固体
密度:
1.369 g/cm3
熔点:
116-119ºC
沸点:
383.4ºC at 760 mmHg
闪点:
163.7ºC
折射率:
1.707
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

与强氧化剂反应。

其它信息:

1.     性状:黄色或橘黄色固体

2.     密度(g/mL,25):未确定

3.     相对蒸汽密度(g/mL,空气=1):未确定

4.     熔点(ºC):116-119

5.     沸点(ºC,常压):未确定

6.     沸点(ºC,17mmHg):未确定

7.     折射率(n20/D):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(mmHg,20ºC):未确定

12.  饱和蒸气压(kPa,25ºC):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

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
37/39-26
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。
:
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 42523-15-9

    1-methoxyfluoren-9-one

  • ~93%

  • 6344-60-1

    1-羟基-9-芴酮

  • 53437-07-3

    53437-07-3

  • ~83%

  • 6344-60-1

    1-羟基-9-芴酮

  • 6344-62-3

    1-氨基-9-芴酮

  • ~67%

  • 6344-60-1

    1-羟基-9-芴酮

MSDS 展开↓

Name: 1-Hydroxy-9-fluorenone 99% Material Safety Data Sheet
Synonym: Non
CAS: 6344-60-1
Section 1 - Chemical Product   MSDS Name:1-Hydroxy-9-fluorenone 99% Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6344-60-1 1-Hydroxy-9-fluorenone, 99% 99% 228-746-4
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:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 6344-60-1: 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: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: @ 760.00mm Hg
Freezing/Melting Point: 117 - 118 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: C13H8O2
Molecular Weight: 196.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6344-60-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Hydroxy-9-fluorenone, 99% - Not listed by ACGIH, IARC, or NTP.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6344-60-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6344-60-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6344-60-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:5

6.拓扑分子极性表面积37.3

7.重原子数量:15

8.表面电荷:0

9.复杂度:274

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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