英语词典化工词典

1,3-Propanedione,1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-

1,3-Propanedione,1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-


  • 中文别名:1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione
  • 中文释义:1-(5-氯-2-羟基-4-甲苯)-3-苯基-1,3-丙二酮;1-(5-氯-2-羟基-4-甲基苯基)-3-苯基-1,3-丙二酮
  • 英文别名:1-(5-CHLORO-2-HYDROXY-4-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE;
    1-(5-CHLORO-2-HYDROXY-4-METHYLPHENYL)-3-PHENYLPROPANE-1,3-DIONE;
    1-(5-chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,;
    1-(5-CHLORO-2-HYDROXY-4-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE 98%;
    1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione,99% 
  • CAS No.:5067-23-2
  • 分子式:

    C16H13ClO3

  • 分子量:288.73
  • 精确分子量:288.05500
  • PSA:54.37000
  • MDL:MFCD00209561
  • InChI:The Key: XNOUEBNIOPXNAO-UHFFFAOYSA-N
  • 分子结构式:

物化性质

密度:
1.328g/cm3
熔点:
120-123ºC(lit.)
沸点:
494.7ºC at 760 mmHg
闪点:
253ºC
折射率:
1.645
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:

常温常压下稳定,避免与不相容材料接触。

1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione 安全信息

海关代码:
2914700090
危险类别码:
36/37/38
安全说明:
26-36
危险标志:
Xi

安全信息

密度:
1.328g/cm3
熔点:
120-123ºC(lit.)
沸点:
494.7ºC at 760 mmHg
闪点:
253ºC
折射率:
1.645
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:

常温常压下稳定,避免与不相容材料接触。

1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione 安全信息

海关代码:
2914700090
危险类别码:
36/37/38
安全说明:
26-36
危险标志:
Xi

MSDS

Name: 1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1 3-propanedione Material Safety Data Sheet
Synonym:
CAS: 5067-23-2
Section 1 - Chemical Product   MSDS Name:1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1 3-propanedione Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5067-23-2 1-(5-Chloro-2-hydroxy-4-methylphenyl)- unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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.
Ingestion:
Get medical aid. Wash mouth out with 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:
Treat symptomatically and supportively.
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 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.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 5067-23-2: Personal Protective Equipment Eyes: Not available.
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: Not available.
Freezing/Melting Point: 120 - 123 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: C16H13ClO
Molecular Weight: 288.73
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5067-23-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(5-Chloro-2-hydroxy-4-methylphenyl)-3-phenyl-1,3-propanedione - 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# 5067-23-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5067-23-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5067-23-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码:2914700090

概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据

计算化学数据

1、 疏水参数计算参考值(XlogP):5

2、 氢键供体数量:1

3、 氢键受体数量:3

4、 可旋转化学键数量:3

5、 互变异构体数量:9

6、 拓扑分子极性表面积(TPSA):60.4

7、 重原子数量:20

8、 表面电荷:-1

9、 复杂度:374

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:1

15、 共价键单元数量:1

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