728-81-4 (3-(三氟甲基)苯甲酮,3-(trifluoromethyl)benzophenone)

CAS号:
728-81-4
中文名称:
3-(三氟甲基)苯甲酮
英文名称:
3-(trifluoromethyl)benzophenone
分子式:
C14H9F3O
分子量:
250.215874433517
相关分类:

3-(三氟甲基)苯甲酮(728-81-4)名称与标识符

名称

中文别名:
3-(三氟甲基)苯甲酮;3-(三氟甲基)二苯酮;3-(三氟甲基)二苯甲酮;
英文别名:
3-(trifluoromethyl)benzophenone;phenyl-[3-(trifluoromethyl)phenyl]methanone;3-(trifluoromethyl)-benzophenone;fxffr cvr;m-(Trifluoromethyl)benzophenone;phenyl 3-(trifluoromethyl)phenyl ketone;Phenyl[3-(trifluoromethyl)phenyl]methanone;3-Trifluoromethyl benzophenone;SY106418;SCHEMBL1044812;EINECS 211-973-8;m-Trifluoromethylbenzophenone;3-(trifluoro)methyl benzophenone;CS-0313898;AKOS009157014;MFCD00000389;Q63408907;DTXSID50223121;AC-11415;728-81-4;3-TRIFLUOROMETHYLBENZOPHENONE;Phenyl[3-(trifluoromethyl)phenyl]methanone #;GLM8ZD9GJF;Methanone, phenyl[3-(trifluoromethyl)phenyl]-;NS00042515;E82679;PS-7479;FT-0613933;Phenyl(3-(trifluoromethyl)phenyl)methanone;

标识符

MDL:
MFCD00000389
InChIKey:
IOXDAYKKVHAKSX-UHFFFAOYSA-N
Inchi:
1S/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H
SMILES:
FC(C1C=CC=C(C(C2C=CC=CC=2)=O)C=1)(F)F
BRN:
1971353

3-(三氟甲基)苯甲酮(728-81-4)物化性质

实验特性

  • LogP : 3.93640
  • PSA : 17.07000
  • 折射率 : 1.519
  • 沸点 : 121-123 °C1.5 mm Hg(lit.)
  • 熔点 : 51-53 ºC
  • 闪点 : >230 °F
  • 颜色与性状 : 粉末
  • 溶解性 : 未确定
  • 密度 : 1.244

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 : 250.061
  • 重原子数量 : 18
  • 复杂度 : 292
  • 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 : 17.1A^2

3-(三氟甲基)苯甲酮(728-81-4)安全信息

3-(三氟甲基)苯甲酮(728-81-4)国际标准相关数据

EINECS:
211-973-8

3-(三氟甲基)苯甲酮(728-81-4)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%

3-(三氟甲基)苯甲酮(728-81-4)推荐厂家 更多厂家(12)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海创赛科技有限公司 15021221957
021-59553580
凌度 2852351983
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上海吉至生化科技有限公司 18117592386
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吉至试剂 3007522982
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上海吉至生化科技有限公司 18117592386
021-57481218
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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JACS-郑州杰克斯化工产品有限公司 13223061139
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杰克斯JACS 893596907
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南兴化工(江苏)有限公司 18651116180
0512-66387035
闵慧萍 3771156959 询单
上海赛可锐生物科技有限公司 15900491054
021-58000709
赛可锐生物-许经理
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江苏艾康生物医药研发有限公司 18795912720
025-66061636
杨情情 3004779232
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天成化工(江苏)有限公司 15251950002
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陈小姐询单

3-(三氟甲基)苯甲酮(728-81-4) MSDS

基础信息

Name:3-(Trifluoromethyl)benzophenone 99% Material Safety Data Sheet
Synonym:None
CAS:728-81-4
Section 1 - Chemical Product ? MSDS Name:3-(Trifluoromethyl)benzophenone 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
728-81-43-(Trifluoromethyl)benzophenone99.0211-973-8
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.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
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:
Treat symptomatically and supportively.
Antidote: None reported.

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 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:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 728-81-4: 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: Powder
Color: straw-colored
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 121 - 123 deg C @ 1.50mm Hg
Freezing/Melting Point: 52 - 53 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
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 at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 728-81-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(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
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# 728-81-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 728-81-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 728-81-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A