728-86-9 (4-(三氟甲基)二苯甲酮,4-(trifluoromethyl)benzophenone)

CAS号:
728-86-9
中文名称:
4-(三氟甲基)二苯甲酮
英文名称:
4-(trifluoromethyl)benzophenone
分子式:
C14H9F3O
分子量:
250.215874433517

4-(三氟甲基)二苯甲酮(728-86-9)名称与标识符

名称

中文别名:
4-(三氟甲基)二苯甲酮;4-(三氟甲基)苯甲酮;4-(三氟甲基)苯并苯基酮;FMOC-(R)-3-氨基-4-(3-三氟甲苯基)丁酸;
英文别名:
4-(trifluoromethyl)benzophenone;phenyl-[4-(trifluoromethyl)phenyl]methanone;(4-(trifluoromethyl)phenyl)(phenyl)methanone;(4-trifluoromethyl)(phenyl)methanone;fxffr dvr;phenyl 4-(trifluoromethyl)phenyl ketone;Phenyl[4-(trifluoromethyl)phenyl]methanone;p-Trifluoromethylbenzophenone;p-TRIFLUOROMETHYL BENZOPHENONE;Methanone, phenyl[4-(trifluoromethyl)phenyl]-;CS-0159838;NS00042516;4-(TRIFLUOROMETHYL)BENZOPHENONE, 98%;A-HSD1-IN-7;EINECS 211-974-3;phenyl(4-(trifluoromethyl)phenyl)-methanone;NSC88328;PS-7477;NSC 88328;4'-Trifluoromethylbenzophenone;Benzophenone, 4-(trifluoromethyl)-;HY-W106057;DTXSID10223122;AB-131/40897209;4-Trifluoromethylbenzophenone;FT-0616918;InChI=1/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H;NSC-88328;Phenyl[4-(trifluoromethyl)phenyl]methanone #;A837654;AKOS004908827;MFCD00000400;OHTYZZYAMUVKQS-UHFFFAOYSA-;(4-Trifluoromethylphenyl) phenyl ketone;SCHEMBL1781341;SY061769;728-86-9;11;phenyl(4-(trifluoromethyl)phenyl)methanone;Phenyl[4-(trifluoromethyl)phenyl]methanone, 4-Benzoylbenzotrifluoride;

标识符

MDL:
MFCD00000400
InChIKey:
OHTYZZYAMUVKQS-UHFFFAOYSA-N
Inchi:
1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
SMILES:
FC(C1C=CC(=CC=1)C(C1C=CC=CC=1)=O)(F)F
BRN:
1879572

4-(三氟甲基)二苯甲酮(728-86-9)物化性质

实验特性

  • LogP : 3.93640
  • PSA : 17.07000
  • 熔点 : 113-116 ºC
  • 颜色与性状 : 黄色粉末
  • 溶解性 : 不溶于水
  • 密度 : 1.2778 (estimate)

计算特性

  • 精确分子量 : 250.06100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 250.06054939g/mol
  • 重原子数量 : 18
  • 复杂度 : 284
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 17.1Ų

4-(三氟甲基)二苯甲酮(728-86-9)安全信息

4-(三氟甲基)二苯甲酮(728-86-9)国际标准相关数据

EINECS:
211-974-3

4-(三氟甲基)二苯甲酮(728-86-9)海关数据

海关编码:
2914700090
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

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%

4-(三氟甲基)二苯甲酮(728-86-9)上下游

4-(三氟甲基)二苯甲酮(728-86-9)相关文献

4-(三氟甲基)二苯甲酮(728-86-9) MSDS

基础信息

Name:4-(Trifluoromethyl)Benzophenone 97% Material Safety Data Sheet
Synonym:None Known
CAS:728-86-9
Section 1 - Chemical Product ? MSDS Name:4-(Trifluoromethyl)Benzophenone 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
728-86-94-(Trifluoromethyl)Benzophenone97211-974-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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 or absorb material, then place into a suitable clean, dry, closed 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:
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# 728-86-9: 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 minimize contact with skin.
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: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 116.00 - 118.00 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: C14H9F3O
Molecular Weight: 250.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 728-86-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(Trifluoromethyl)Benzophenone - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 728-86-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 728-86-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 728-86-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A